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

C17H21NOS — CID 10039706

IUPAC(3S)-N-methyl-3-(2-methylsulfanylphenoxy)-3-phenylpropan-1-amine
SMILESCNCC[C@H](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/t15-/m0/s1
InChIKeyNDVZIUGCCMZHLG-HNNXBMFYSA-N
MW287.43 g/mol
LogP4.14
Rot. Bonds7

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

(3S)-N-methyl-3-(2-methylsulfanylphenoxy)-3-phenylpropan-1-amine (PubChem CID 10039706) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is (3S)-N-methyl-3-(2-methylsulfanylphenoxy)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name(3S)-N-methyl-3-(2-methylsulfanylphenoxy)-3-phenylpropan-1-amine
PubChem CID10039706
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name(3S)-N-methyl-3-(2-methylsulfanylphenoxy)-3-phenylpropan-1-amine
SMILESCNCC[C@H](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/t15-/m0/s1
InChIKeyNDVZIUGCCMZHLG-HNNXBMFYSA-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

Analyze (3S)-N-methyl-3-(2-methylsulfanylphenoxy)-3-phenylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-3-(2-methylsulfanylphenoxy)-3-phenylpropan-1-amine?
The IUPAC name of (3S)-N-methyl-3-(2-methylsulfanylphenoxy)-3-phenylpropan-1-amine (CID 10039706) is (3S)-N-methyl-3-(2-methylsulfanylphenoxy)-3-phenylpropan-1-amine.
What is the SMILES notation for (3S)-N-methyl-3-(2-methylsulfanylphenoxy)-3-phenylpropan-1-amine?
The canonical SMILES for (3S)-N-methyl-3-(2-methylsulfanylphenoxy)-3-phenylpropan-1-amine is CNCC[C@H](Oc1ccccc1SC)c1ccccc1.
What is the InChIKey of (3S)-N-methyl-3-(2-methylsulfanylphenoxy)-3-phenylpropan-1-amine?
The InChIKey is NDVZIUGCCMZHLG-HNNXBMFYSA-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/t15-/m0/s1.
What are the key properties of (3S)-N-methyl-3-(2-methylsulfanylphenoxy)-3-phenylpropan-1-amine?
(3S)-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 (3S)-N-methyl-3-(2-methylsulfanylphenoxy)-3-phenylpropan-1-amine is sourced from PubChem (CID 10039706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).