1-(4-chlorophenyl)-2-(3-methylphenyl)sulfanylethanamine

C15H16ClNS — CID 66086016

IUPAC1-(4-chlorophenyl)-2-(3-methylphenyl)sulfanylethanamine
SMILESCc1cccc(SCC(N)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H16ClNS/c1-11-3-2-4-14(9-11)18-10-15(17)12-5-7-13(16)8-6-12/h2-9,15H,10,17H2,1H3
InChIKeyUMEJEZSZQVMAAG-UHFFFAOYSA-N
MW277.82 g/mol
LogP4.44
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(3-methylphenyl)sulfanylethanamine

1-(4-chlorophenyl)-2-(3-methylphenyl)sulfanylethanamine (PubChem CID 66086016) has the molecular formula C15H16ClNS and a molecular weight of 277.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(3-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(3-methylphenyl)sulfanylethanamine
PubChem CID66086016
Molecular FormulaC15H16ClNS
Molecular Weight277.82 g/mol
Exact Mass277.07
IUPAC Name1-(4-chlorophenyl)-2-(3-methylphenyl)sulfanylethanamine
SMILESCc1cccc(SCC(N)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H16ClNS/c1-11-3-2-4-14(9-11)18-10-15(17)12-5-7-13(16)8-6-12/h2-9,15H,10,17H2,1H3
InChIKeyUMEJEZSZQVMAAG-UHFFFAOYSA-N
XLogP4.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.82
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 105395116
2-(3-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 66086595
ethane;1-(3-methylphenyl)sulfanylpropan-2-amine
CID 145087254
1-(2,3-difluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086989
2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102832948
1-(2,2-difluoroethylsulfanyl)-3-methylbenzene
CID 130741881
2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 66143398
1-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66088925
1-(3,4-dichlorophenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
CID 66086804
2-(3-chlorophenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 66147252
2-(4-chlorophenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64622119
2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine
CID 64621935

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(3-methylphenyl)sulfanylethanamine?
The IUPAC name of 1-(4-chlorophenyl)-2-(3-methylphenyl)sulfanylethanamine (CID 66086016) is 1-(4-chlorophenyl)-2-(3-methylphenyl)sulfanylethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(3-methylphenyl)sulfanylethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-2-(3-methylphenyl)sulfanylethanamine is Cc1cccc(SCC(N)c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(3-methylphenyl)sulfanylethanamine?
The InChIKey is UMEJEZSZQVMAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNS/c1-11-3-2-4-14(9-11)18-10-15(17)12-5-7-13(16)8-6-12/h2-9,15H,10,17H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(3-methylphenyl)sulfanylethanamine?
1-(4-chlorophenyl)-2-(3-methylphenyl)sulfanylethanamine has a molecular weight of 277.82 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(3-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 66086016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).