1-(3-chlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine

C16H18ClNS — CID 66098008

IUPAC1-(3-chlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
SMILESCc1ccccc1SCC(N)Cc1cccc(Cl)c1
InChIInChI=1S/C16H18ClNS/c1-12-5-2-3-8-16(12)19-11-15(18)10-13-6-4-7-14(17)9-13/h2-9,15H,10-11,18H2,1H3
InChIKeySXXGKQYSJSBZQL-UHFFFAOYSA-N
MW291.85 g/mol
LogP4.31
Rot. Bonds5

About 1-(3-chlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine

1-(3-chlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine (PubChem CID 66098008) has the molecular formula C16H18ClNS and a molecular weight of 291.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
PubChem CID66098008
Molecular FormulaC16H18ClNS
Molecular Weight291.85 g/mol
Exact Mass291.08
IUPAC Name1-(3-chlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
SMILESCc1ccccc1SCC(N)Cc1cccc(Cl)c1
InChIInChI=1S/C16H18ClNS/c1-12-5-2-3-8-16(12)19-11-15(18)10-13-6-4-7-14(17)9-13/h2-9,15H,10-11,18H2,1H3
InChIKeySXXGKQYSJSBZQL-UHFFFAOYSA-N
XLogP4.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.85
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-fluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 103048816
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66097361
1-chloro-3-[(2-methylphenyl)sulfanylmethyl]benzene
CID 4176752
1-(3-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine
CID 66146632
1-(3-chlorophenyl)-4-phenylsulfanylbutan-2-amine
CID 79223389
1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66098425
1-(3-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 114931754
1-(2-methylphenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine
CID 66099254
4-[2-amino-3-(3-chlorophenyl)sulfanylpropyl]pyridin-2-amine
CID 66146419
[1-(3-chlorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-yl]hydrazine
CID 105237759
2-(3-chlorophenyl)-1-phenylethanamine;hydrochloride
CID 3052534
1-(4-chloro-3-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-amine
CID 107884862

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine (CID 66098008) is 1-(3-chlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine is Cc1ccccc1SCC(N)Cc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine?
The InChIKey is SXXGKQYSJSBZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNS/c1-12-5-2-3-8-16(12)19-11-15(18)10-13-6-4-7-14(17)9-13/h2-9,15H,10-11,18H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine?
1-(3-chlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine has a molecular weight of 291.85 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 66098008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).