1-(3-chlorophenyl)sulfanyl-1-(3-methylphenyl)propan-2-amine

C16H18ClNS — CID 62645584

IUPAC1-(3-chlorophenyl)sulfanyl-1-(3-methylphenyl)propan-2-amine
SMILESCc1cccc(C(Sc2cccc(Cl)c2)C(C)N)c1
InChIInChI=1S/C16H18ClNS/c1-11-5-3-6-13(9-11)16(12(2)18)19-15-8-4-7-14(17)10-15/h3-10,12,16H,18H2,1-2H3
InChIKeyREXAUKGUQIHMBI-UHFFFAOYSA-N
MW291.85 g/mol
LogP4.83
Rot. Bonds4

About 1-(3-chlorophenyl)sulfanyl-1-(3-methylphenyl)propan-2-amine

1-(3-chlorophenyl)sulfanyl-1-(3-methylphenyl)propan-2-amine (PubChem CID 62645584) has the molecular formula C16H18ClNS and a molecular weight of 291.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfanyl-1-(3-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfanyl-1-(3-methylphenyl)propan-2-amine
PubChem CID62645584
Molecular FormulaC16H18ClNS
Molecular Weight291.85 g/mol
Exact Mass291.08
IUPAC Name1-(3-chlorophenyl)sulfanyl-1-(3-methylphenyl)propan-2-amine
SMILESCc1cccc(C(Sc2cccc(Cl)c2)C(C)N)c1
InChIInChI=1S/C16H18ClNS/c1-11-5-3-6-13(9-11)16(12(2)18)19-15-8-4-7-14(17)10-15/h3-10,12,16H,18H2,1-2H3
InChIKeyREXAUKGUQIHMBI-UHFFFAOYSA-N
XLogP4.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.85
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-1-(3-chlorophenyl)sulfanylpropan-2-amine
CID 62647172
1-(3-methylphenyl)-1-phenylsulfanylpropan-2-amine
CID 55020378
1-(3-methylphenyl)sulfanyl-1-phenylpropan-2-amine
CID 55017009
1-(4-bromophenyl)-1-(3-chlorophenyl)sulfanylpropan-2-amine
CID 63537081
1-(4-bromophenyl)-1-(3-methylphenyl)sulfanylpropan-2-amine
CID 55015807
1-(3-chlorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)propan-2-amine
CID 62646460
1-(3-chlorophenyl)sulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine
CID 62646457
1-(3-chlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine
CID 55101417
1-chloro-3-propan-2-ylsulfanylbenzene
CID 12763281
1-(3-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-2-amine
CID 62409941
1-(3-methylphenyl)sulfanylethanamine
CID 117032496
1-(3-methylphenyl)-1-(1,3-thiazol-2-ylsulfanyl)propan-2-amine
CID 55020772

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfanyl-1-(3-methylphenyl)propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)sulfanyl-1-(3-methylphenyl)propan-2-amine (CID 62645584) is 1-(3-chlorophenyl)sulfanyl-1-(3-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfanyl-1-(3-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)sulfanyl-1-(3-methylphenyl)propan-2-amine is Cc1cccc(C(Sc2cccc(Cl)c2)C(C)N)c1.
What is the InChIKey of 1-(3-chlorophenyl)sulfanyl-1-(3-methylphenyl)propan-2-amine?
The InChIKey is REXAUKGUQIHMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNS/c1-11-5-3-6-13(9-11)16(12(2)18)19-15-8-4-7-14(17)10-15/h3-10,12,16H,18H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)sulfanyl-1-(3-methylphenyl)propan-2-amine?
1-(3-chlorophenyl)sulfanyl-1-(3-methylphenyl)propan-2-amine has a molecular weight of 291.85 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfanyl-1-(3-methylphenyl)propan-2-amine is sourced from PubChem (CID 62645584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).