N-methyl-1-(4-methylsulfanylphenyl)-3-phenylpropan-1-amine

C17H21NS — CID 115794332

IUPACN-methyl-1-(4-methylsulfanylphenyl)-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)c1ccc(SC)cc1
InChIInChI=1S/C17H21NS/c1-18-17(13-8-14-6-4-3-5-7-14)15-9-11-16(19-2)12-10-15/h3-7,9-12,17-18H,8,13H2,1-2H3
InChIKeyXLPPMAQMAHEXAC-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.30
Rot. Bonds6

About N-methyl-1-(4-methylsulfanylphenyl)-3-phenylpropan-1-amine

N-methyl-1-(4-methylsulfanylphenyl)-3-phenylpropan-1-amine (PubChem CID 115794332) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-methyl-1-(4-methylsulfanylphenyl)-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(4-methylsulfanylphenyl)-3-phenylpropan-1-amine
PubChem CID115794332
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC NameN-methyl-1-(4-methylsulfanylphenyl)-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)c1ccc(SC)cc1
InChIInChI=1S/C17H21NS/c1-18-17(13-8-14-6-4-3-5-7-14)15-9-11-16(19-2)12-10-15/h3-7,9-12,17-18H,8,13H2,1-2H3
InChIKeyXLPPMAQMAHEXAC-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-1-(4-methylsulfanylphenyl)-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

Related Compounds

N-methyl-1-[4-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine
CID 43480559
1-[4-(difluoromethoxy)phenyl]-N-methyl-3-phenylpropan-1-amine
CID 115794124
1-(4-chloro-3-fluorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 107991975
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropan-1-amine
CID 43482553
N-methyl-1-(3-methylphenyl)-3-phenylpropan-1-amine
CID 60818529
1-(4-bromo-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine
CID 115794186
1-(4-chloro-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine
CID 115794283
N-benzyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine
CID 60709682
1-benzyl-4-methylsulfanylbenzene
CID 23524923
N-methyl-1-(4-methylsulfanylphenyl)but-3-en-1-amine
CID 115815034
N-methyl-3-naphthalen-2-yl-1-phenylpropan-1-amine
CID 64500131
3-(3-methoxyphenyl)-N-methyl-1-phenylpropan-1-amine
CID 54891056

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylsulfanylphenyl)-3-phenylpropan-1-amine?
The IUPAC name of N-methyl-1-(4-methylsulfanylphenyl)-3-phenylpropan-1-amine (CID 115794332) is N-methyl-1-(4-methylsulfanylphenyl)-3-phenylpropan-1-amine.
What is the SMILES notation for N-methyl-1-(4-methylsulfanylphenyl)-3-phenylpropan-1-amine?
The canonical SMILES for N-methyl-1-(4-methylsulfanylphenyl)-3-phenylpropan-1-amine is CNC(CCc1ccccc1)c1ccc(SC)cc1.
What is the InChIKey of N-methyl-1-(4-methylsulfanylphenyl)-3-phenylpropan-1-amine?
The InChIKey is XLPPMAQMAHEXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-18-17(13-8-14-6-4-3-5-7-14)15-9-11-16(19-2)12-10-15/h3-7,9-12,17-18H,8,13H2,1-2H3.
What are the key properties of N-methyl-1-(4-methylsulfanylphenyl)-3-phenylpropan-1-amine?
N-methyl-1-(4-methylsulfanylphenyl)-3-phenylpropan-1-amine has a molecular weight of 271.43 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylsulfanylphenyl)-3-phenylpropan-1-amine is sourced from PubChem (CID 115794332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).