2-(3-chlorophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)ethanamine

C17H20ClNS — CID 64633518

IUPAC2-(3-chlorophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)ethanamine
SMILESCCNC(CSc1cccc(Cl)c1)c1ccc(C)cc1
InChIInChI=1S/C17H20ClNS/c1-3-19-17(14-9-7-13(2)8-10-14)12-20-16-6-4-5-15(18)11-16/h4-11,17,19H,3,12H2,1-2H3
InChIKeySHSXVPWFIDENBL-UHFFFAOYSA-N
MW305.87 g/mol
LogP5.09
Rot. Bonds6

About 2-(3-chlorophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)ethanamine

2-(3-chlorophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)ethanamine (PubChem CID 64633518) has the molecular formula C17H20ClNS and a molecular weight of 305.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)ethanamine
PubChem CID64633518
Molecular FormulaC17H20ClNS
Molecular Weight305.87 g/mol
Exact Mass305.10
IUPAC Name2-(3-chlorophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)ethanamine
SMILESCCNC(CSc1cccc(Cl)c1)c1ccc(C)cc1
InChIInChI=1S/C17H20ClNS/c1-3-19-17(14-9-7-13(2)8-10-14)12-20-16-6-4-5-15(18)11-16/h4-11,17,19H,3,12H2,1-2H3
InChIKeySHSXVPWFIDENBL-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.87
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-2-(3-chlorophenyl)sulfanyl-N-ethylethanamine
CID 66148934
2-(3-chlorophenyl)sulfanyl-N-ethyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 115374735
1-(3-chloro-4-methylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 107560395
2-(3-chlorophenyl)sulfanyl-1-(4-methylphenyl)ethanol
CID 66147302
N-ethyl-1-(4-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 64626083
N-[1-(3-chlorophenyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine
CID 66086625
3-(3-chlorophenyl)sulfanyl-2-(ethylamino)propanenitrile
CID 62647536
N-ethyl-1-(3-methylphenyl)-2-phenylsulfanylethanamine
CID 64619202
1-(2,4-dimethylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64627094
N-ethyl-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine
CID 66064232
1-(2,5-dimethylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64627095
ethyl 3-(3-chlorophenyl)sulfanyl-2-(ethylamino)propanoate
CID 55101614

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)ethanamine (CID 64633518) is 2-(3-chlorophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)ethanamine is CCNC(CSc1cccc(Cl)c1)c1ccc(C)cc1.
What is the InChIKey of 2-(3-chlorophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)ethanamine?
The InChIKey is SHSXVPWFIDENBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNS/c1-3-19-17(14-9-7-13(2)8-10-14)12-20-16-6-4-5-15(18)11-16/h4-11,17,19H,3,12H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)ethanamine?
2-(3-chlorophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)ethanamine has a molecular weight of 305.87 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 64633518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).