1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine

C17H21NOS — CID 3075829

IUPAC1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccccc1Sc1ccccc1OC
InChIInChI=1S/C17H21NOS/c1-13(18-2)12-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19-3/h4-11,13,18H,12H2,1-3H3
InChIKeyCPZHRXPRIXYSLY-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.00
Rot. Bonds6

About 1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine

1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine (PubChem CID 3075829) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine
PubChem CID3075829
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccccc1Sc1ccccc1OC
InChIInChI=1S/C17H21NOS/c1-13(18-2)12-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19-3/h4-11,13,18H,12H2,1-3H3
InChIKeyCPZHRXPRIXYSLY-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-(2-methoxyphenyl)sulfanylphenyl]butan-2-amine
CID 63818198
1-(chloromethyl)-2-(2-methoxyphenyl)sulfanylbenzene
CID 141087077
1-(2-bromo-3-methoxyphenyl)-N-methylpropan-2-amine
CID 84738148
2-methoxy-6-[2-(methylamino)propyl]phenol
CID 68884486
4-[2-[2-(methylamino)propyl]phenyl]sulfanylphenol;hydrochloride
CID 3075844
1-(5-fluoro-2-methoxyphenyl)-N-methylpropan-2-amine
CID 84733466
N-[[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]methyl]propan-2-amine
CID 63814518
2-(2-methoxyphenoxy)-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine
CID 141088604
1-(2-methoxyphenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine
CID 115721693
N-(2-fluoroethyl)-1-(2-methoxyphenyl)propan-2-amine
CID 110174086
1-[4-(2-methoxyphenyl)sulfanylphenyl]-N-methylethanamine
CID 61290166
N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-2-phenoxyethanamine
CID 141088572

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine?
The IUPAC name of 1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine (CID 3075829) is 1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine is CNC(C)Cc1ccccc1Sc1ccccc1OC.
What is the InChIKey of 1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine?
The InChIKey is CPZHRXPRIXYSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-13(18-2)12-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19-3/h4-11,13,18H,12H2,1-3H3.
What are the key properties of 1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine?
1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine has a molecular weight of 287.43 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine is sourced from PubChem (CID 3075829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).