1-(3-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine

C17H20ClNS — CID 66146632

IUPAC1-(3-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine
SMILESCc1ccc(CC(N)CSc2cccc(Cl)c2)cc1C
InChIInChI=1S/C17H20ClNS/c1-12-6-7-14(8-13(12)2)9-16(19)11-20-17-5-3-4-15(18)10-17/h3-8,10,16H,9,11,19H2,1-2H3
InChIKeyTYVCRIWANYLGMJ-UHFFFAOYSA-N
MW305.87 g/mol
LogP4.62
Rot. Bonds5

About 1-(3-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine

1-(3-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine (PubChem CID 66146632) has the molecular formula C17H20ClNS and a molecular weight of 305.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine
PubChem CID66146632
Molecular FormulaC17H20ClNS
Molecular Weight305.87 g/mol
Exact Mass305.10
IUPAC Name1-(3-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine
SMILESCc1ccc(CC(N)CSc2cccc(Cl)c2)cc1C
InChIInChI=1S/C17H20ClNS/c1-12-6-7-14(8-13(12)2)9-16(19)11-20-17-5-3-4-15(18)10-17/h3-8,10,16H,9,11,19H2,1-2H3
InChIKeyTYVCRIWANYLGMJ-UHFFFAOYSA-N
XLogP4.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.87
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-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-(3-bromophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine
CID 66160000
4-[2-amino-3-(3-chlorophenyl)sulfanylpropyl]pyridin-2-amine
CID 66146419
1-(3-chlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66098008
1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)sulfanylpropan-2-amine
CID 66145992
2-(3-chlorophenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 66147252
1-(3-chlorophenyl)sulfanyl-4,6-dimethylheptan-2-amine
CID 114200949
1-(3-chlorophenyl)sulfanyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
CID 66147872
1-(3,4-dimethylphenyl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65131827
1-(3-chlorophenyl)sulfanylhex-4-yn-2-amine
CID 66146631
2-(3-chlorophenyl)-3-(3,4-dimethylphenyl)propan-1-ol
CID 79443229
1-(3-chlorophenyl)sulfanyl-3-(1,3-diethylpyrazol-5-yl)propan-2-amine
CID 66147462
[1-(3-chlorophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105237861

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine (CID 66146632) is 1-(3-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine is Cc1ccc(CC(N)CSc2cccc(Cl)c2)cc1C.
What is the InChIKey of 1-(3-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine?
The InChIKey is TYVCRIWANYLGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNS/c1-12-6-7-14(8-13(12)2)9-16(19)11-20-17-5-3-4-15(18)10-17/h3-8,10,16H,9,11,19H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine?
1-(3-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine has a molecular weight of 305.87 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine is sourced from PubChem (CID 66146632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).