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4-[(1S)-3-(Methylamino)-1-(2-thienyl)propoxy]-1-naphthalenol

4-[(1S)-3-(Methylamino)-1-(2-thienyl)propoxy]-1-naphthalenol structure

CAS No:
662149-13-5
Formula:
C18H19NO2S
Chemical Name:
4-[(1S)-3-(Methylamino)-1-(2-thienyl)propoxy]-1-naphthalenol
Synonyms:
1-Naphthalenol,4-[(1S)-3-(methylamino)-1-(2-thienyl)propoxy]-;4-[(1S)-3-(Methylamino)-1-(2-thienyl)propoxy]-1-naphthalenol

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4-[(1S)-3-(Methylamino)-1-(2-thienyl)propoxy]-1-naphthalenol Basic Attributes

Molecular Weight：

313.41400

Exact Mass：

313.41

DSSTox ID：

DTXSID40652603

Characteristics

PSA：

69.73000

XLogP3：

4.72740

Density：

1.227g/cm3

Melting Point：

140-143ºC

Boiling Point：

516.6ºC at 760 mmHg

Flash Point：

266.2ºC

Refractive Index：

1.649

Drug Information

Metabolism/Metabolites：

4-Hydroxyduloxetine has known human metabolites that include (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[4-[(1S)-3-(methylazaniumyl)-1-thiophen-2-ylpropoxy]naphthalen-1-yl]oxyoxane-2-carboxylate.

Computed Properties

Molecular Weight:313.4
XLogP3:4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:313.11365002
Monoisotopic Mass:313.11365002
Topological Polar Surface Area:69.7
Heavy Atom Count:22
Complexity:341
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[(1S)-3-(Methylamino)-1-(2-thienyl)propoxy]-1-naphthalenol

Basic Attributes
Characteristics
Drug Information
Computed Properties

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