N-methyl-3-(2-methylsulfanylphenoxy)-3-phenylpropan-1-amine

C17H21NOS — CID 3081925

IUPACN-methyl-3-(2-methylsulfanylphenoxy)-3-phenylpropan-1-amine
SMILESCNCCC(Oc1ccccc1SC)c1ccccc1
InChIInChI=1S/C17H21NOS/c1-18-13-12-15(14-8-4-3-5-9-14)19-16-10-6-7-11-17(16)20-2/h3-11,15,18H,12-13H2,1-2H3
InChIKeyNDVZIUGCCMZHLG-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.14
Rot. Bonds7

About N-methyl-3-(2-methylsulfanylphenoxy)-3-phenylpropan-1-amine

N-methyl-3-(2-methylsulfanylphenoxy)-3-phenylpropan-1-amine (PubChem CID 3081925) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is N-methyl-3-(2-methylsulfanylphenoxy)-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(2-methylsulfanylphenoxy)-3-phenylpropan-1-amine
PubChem CID3081925
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC NameN-methyl-3-(2-methylsulfanylphenoxy)-3-phenylpropan-1-amine
SMILESCNCCC(Oc1ccccc1SC)c1ccccc1
InChIInChI=1S/C17H21NOS/c1-18-13-12-15(14-8-4-3-5-9-14)19-16-10-6-7-11-17(16)20-2/h3-11,15,18H,12-13H2,1-2H3
InChIKeyNDVZIUGCCMZHLG-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 54841
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N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
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(+)-Tomoxetine
CID 6093336
(3-Phenylsulfanyl-propyl)-(2-p-tolyloxy-ethyl)-amine
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(S)-2-[(R)-(2-Ethoxy-phenoxy)-phenyl-methyl]-morpholine
CID 11594827
(2S)-2-[(S)-[2-(2-fluoroethoxy)phenyl]sulfanyl-phenylmethyl]morpholine
CID 44457051
(3R)-3-(2-iodophenoxy)-N-methyl-3-phenylpropan-1-amine;hydrochloride
CID 45262285
(3S)-3-(4-iodophenoxy)-N-methyl-3-phenylpropan-1-amine;hydrochloride
CID 45262286
(3-Phenoxy-propyl)-(3-phenyl-propyl)-amine
CID 9948461
(3S)-3-(1-benzothiophen-7-yloxy)-N-methyl-3-phenylpropan-1-amine
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3-(4-iodophenoxy)-N-methyl-3-phenylpropan-1-amine
CID 10410796

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methylsulfanylphenoxy)-3-phenylpropan-1-amine?
The IUPAC name of N-methyl-3-(2-methylsulfanylphenoxy)-3-phenylpropan-1-amine (CID 3081925) is N-methyl-3-(2-methylsulfanylphenoxy)-3-phenylpropan-1-amine.
What is the SMILES notation for N-methyl-3-(2-methylsulfanylphenoxy)-3-phenylpropan-1-amine?
The canonical SMILES for N-methyl-3-(2-methylsulfanylphenoxy)-3-phenylpropan-1-amine is CNCCC(Oc1ccccc1SC)c1ccccc1.
What is the InChIKey of N-methyl-3-(2-methylsulfanylphenoxy)-3-phenylpropan-1-amine?
The InChIKey is NDVZIUGCCMZHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-18-13-12-15(14-8-4-3-5-9-14)19-16-10-6-7-11-17(16)20-2/h3-11,15,18H,12-13H2,1-2H3.
What are the key properties of N-methyl-3-(2-methylsulfanylphenoxy)-3-phenylpropan-1-amine?
N-methyl-3-(2-methylsulfanylphenoxy)-3-phenylpropan-1-amine has a molecular weight of 287.43 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylsulfanylphenoxy)-3-phenylpropan-1-amine is sourced from PubChem (CID 3081925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).