1-(3-chlorophenyl)-2-(3-chlorophenyl)sulfanyl-N-ethylethanamine

C16H17Cl2NS — CID 66148934

IUPAC1-(3-chlorophenyl)-2-(3-chlorophenyl)sulfanyl-N-ethylethanamine
SMILESCCNC(CSc1cccc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C16H17Cl2NS/c1-2-19-16(12-5-3-6-13(17)9-12)11-20-15-8-4-7-14(18)10-15/h3-10,16,19H,2,11H2,1H3
InChIKeyZLWHNOAALIHBKC-UHFFFAOYSA-N
MW326.29 g/mol
LogP5.44
Rot. Bonds6

About 1-(3-chlorophenyl)-2-(3-chlorophenyl)sulfanyl-N-ethylethanamine

1-(3-chlorophenyl)-2-(3-chlorophenyl)sulfanyl-N-ethylethanamine (PubChem CID 66148934) has the molecular formula C16H17Cl2NS and a molecular weight of 326.29 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(3-chlorophenyl)sulfanyl-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(3-chlorophenyl)sulfanyl-N-ethylethanamine
PubChem CID66148934
Molecular FormulaC16H17Cl2NS
Molecular Weight326.29 g/mol
Exact Mass325.05
IUPAC Name1-(3-chlorophenyl)-2-(3-chlorophenyl)sulfanyl-N-ethylethanamine
SMILESCCNC(CSc1cccc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C16H17Cl2NS/c1-2-19-16(12-5-3-6-13(17)9-12)11-20-15-8-4-7-14(18)10-15/h3-10,16,19H,2,11H2,1H3
InChIKeyZLWHNOAALIHBKC-UHFFFAOYSA-N
XLogP5.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.29
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)ethanamine
CID 64633518
2-(3-chlorophenyl)sulfanyl-N-ethyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 115374735
N-[1-(3-chlorophenyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine
CID 66086625
3-(3-chlorophenyl)sulfanyl-2-(ethylamino)propanenitrile
CID 62647536
2-(4-chlorophenyl)sulfanyl-N-ethyl-1-(3-methoxyphenyl)ethanamine
CID 64620365
N-ethyl-1-(3-methylphenyl)-2-phenylsulfanylethanamine
CID 64619202
[2-(3-chlorophenyl)sulfanyl-1-(3-ethoxyphenyl)ethyl]hydrazine
CID 105237806
1-(3-chloro-4-methylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 107560395
1-(3-chlorophenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 63891305
N-ethyl-1-(3-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086617
1-(3-chlorophenyl)-N-ethyl-3-methylpentan-1-amine
CID 63412580
4-(3-chlorophenyl)-4-(ethylamino)butan-1-ol
CID 69402715

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(3-chlorophenyl)sulfanyl-N-ethylethanamine?
The IUPAC name of 1-(3-chlorophenyl)-2-(3-chlorophenyl)sulfanyl-N-ethylethanamine (CID 66148934) is 1-(3-chlorophenyl)-2-(3-chlorophenyl)sulfanyl-N-ethylethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(3-chlorophenyl)sulfanyl-N-ethylethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-2-(3-chlorophenyl)sulfanyl-N-ethylethanamine is CCNC(CSc1cccc(Cl)c1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(3-chlorophenyl)sulfanyl-N-ethylethanamine?
The InChIKey is ZLWHNOAALIHBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NS/c1-2-19-16(12-5-3-6-13(17)9-12)11-20-15-8-4-7-14(18)10-15/h3-10,16,19H,2,11H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-(3-chlorophenyl)sulfanyl-N-ethylethanamine?
1-(3-chlorophenyl)-2-(3-chlorophenyl)sulfanyl-N-ethylethanamine has a molecular weight of 326.29 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(3-chlorophenyl)sulfanyl-N-ethylethanamine is sourced from PubChem (CID 66148934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).