N-[1-(3-methylphenyl)-2-methylsulfanylethyl]propan-1-amine

C13H21NS — CID 62693018

IUPACN-[1-(3-methylphenyl)-2-methylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSC)c1cccc(C)c1
InChIInChI=1S/C13H21NS/c1-4-8-14-13(10-15-3)12-7-5-6-11(2)9-12/h5-7,9,13-14H,4,8,10H2,1-3H3
InChIKeyHJDWTYAYWFTRBX-UHFFFAOYSA-N
MW223.39 g/mol
LogP3.40
Rot. Bonds6

About N-[1-(3-methylphenyl)-2-methylsulfanylethyl]propan-1-amine

N-[1-(3-methylphenyl)-2-methylsulfanylethyl]propan-1-amine (PubChem CID 62693018) has the molecular formula C13H21NS and a molecular weight of 223.39 g/mol. Its IUPAC name is N-[1-(3-methylphenyl)-2-methylsulfanylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-methylphenyl)-2-methylsulfanylethyl]propan-1-amine
PubChem CID62693018
Molecular FormulaC13H21NS
Molecular Weight223.39 g/mol
Exact Mass223.14
IUPAC NameN-[1-(3-methylphenyl)-2-methylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSC)c1cccc(C)c1
InChIInChI=1S/C13H21NS/c1-4-8-14-13(10-15-3)12-7-5-6-11(2)9-12/h5-7,9,13-14H,4,8,10H2,1-3H3
InChIKeyHJDWTYAYWFTRBX-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(3-methylphenyl)-2-methylsulfanylethyl]propan-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

3,3-dimethyl-1-(3-methylphenyl)-N-propylbutan-1-amine
CID 63889825
N-[1-(3-chlorophenyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine
CID 66086625
N',N'-dimethyl-1-(3-methylphenyl)-N-propylpropane-1,3-diamine
CID 62628527
5-methyl-1-(3-methylphenyl)-N-propylhexan-1-amine
CID 83161664
N-[1-(3-methylphenyl)-2-methylsulfonylethyl]propan-1-amine
CID 62473096
3-(3-methylphenyl)-3-(propylamino)propanamide
CID 65235426
N-[2-(furan-2-yl)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 83176005
N-ethyl-1-(3-methylphenyl)-2-phenylsulfanylethanamine
CID 64619202
1-[3-(3-methylphenyl)-3-(propylamino)propyl]pyrrolidine-3,4-diol
CID 106674181
N-[2-(2-methylbutylsulfonyl)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 107759698
N-ethyl-1-(3-methylphenyl)butan-1-amine
CID 60818713
N-[2-(4-chloro-2-fluorophenyl)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 114855297

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylphenyl)-2-methylsulfanylethyl]propan-1-amine?
The IUPAC name of N-[1-(3-methylphenyl)-2-methylsulfanylethyl]propan-1-amine (CID 62693018) is N-[1-(3-methylphenyl)-2-methylsulfanylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-methylphenyl)-2-methylsulfanylethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-methylphenyl)-2-methylsulfanylethyl]propan-1-amine is CCCNC(CSC)c1cccc(C)c1.
What is the InChIKey of N-[1-(3-methylphenyl)-2-methylsulfanylethyl]propan-1-amine?
The InChIKey is HJDWTYAYWFTRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-4-8-14-13(10-15-3)12-7-5-6-11(2)9-12/h5-7,9,13-14H,4,8,10H2,1-3H3.
What are the key properties of N-[1-(3-methylphenyl)-2-methylsulfanylethyl]propan-1-amine?
N-[1-(3-methylphenyl)-2-methylsulfanylethyl]propan-1-amine has a molecular weight of 223.39 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylphenyl)-2-methylsulfanylethyl]propan-1-amine is sourced from PubChem (CID 62693018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).