2-(3-chlorophenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine

C17H20ClNS — CID 66147252

IUPAC2-(3-chlorophenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(N)CSc2cccc(Cl)c2)cc1C
InChIInChI=1S/C17H20ClNS/c1-11-7-13(3)16(8-12(11)2)17(19)10-20-15-6-4-5-14(18)9-15/h4-9,17H,10,19H2,1-3H3
InChIKeyKRVUSNMDSUXUPW-UHFFFAOYSA-N
MW305.87 g/mol
LogP5.06
Rot. Bonds4

About 2-(3-chlorophenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine

2-(3-chlorophenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine (PubChem CID 66147252) has the molecular formula C17H20ClNS and a molecular weight of 305.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
PubChem CID66147252
Molecular FormulaC17H20ClNS
Molecular Weight305.87 g/mol
Exact Mass305.10
IUPAC Name2-(3-chlorophenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(N)CSc2cccc(Cl)c2)cc1C
InChIInChI=1S/C17H20ClNS/c1-11-7-13(3)16(8-12(11)2)17(19)10-20-15-6-4-5-14(18)9-15/h4-9,17H,10,19H2,1-3H3
InChIKeyKRVUSNMDSUXUPW-UHFFFAOYSA-N
XLogP5.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.87
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 66086595
2-(3-chlorophenyl)sulfanyl-1-(2,4-difluorophenyl)ethanamine
CID 66148494
1-(3-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine
CID 66146632
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)sulfanylethanamine
CID 106762672
2-(3-chlorophenyl)sulfanyl-1-quinolin-8-ylethanamine
CID 81229147
1-(3-chlorophenyl)sulfanyl-4,6-dimethylheptan-2-amine
CID 114200949
1-(4-chlorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086016
2-methylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990414
2-amino-3-(3-chlorophenyl)sulfanylpropanoic acid
CID 62647718
[1-(3-chlorophenyl)sulfanyl-3,3-dimethylbutan-2-yl]hydrazine
CID 105237970
1-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66088925
2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanamine
CID 64634951

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine (CID 66147252) is 2-(3-chlorophenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine is Cc1cc(C)c(C(N)CSc2cccc(Cl)c2)cc1C.
What is the InChIKey of 2-(3-chlorophenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine?
The InChIKey is KRVUSNMDSUXUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNS/c1-11-7-13(3)16(8-12(11)2)17(19)10-20-15-6-4-5-14(18)9-15/h4-9,17H,10,19H2,1-3H3.
What are the key properties of 2-(3-chlorophenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine?
2-(3-chlorophenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine has a molecular weight of 305.87 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine is sourced from PubChem (CID 66147252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).