1-[2-(4-chlorophenyl)sulfanylphenyl]-N-ethylpropan-1-amine

C17H20ClNS — CID 115995754

IUPAC1-[2-(4-chlorophenyl)sulfanylphenyl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNS/c1-3-16(19-4-2)15-7-5-6-8-17(15)20-14-11-9-13(18)10-12-14/h5-12,16,19H,3-4H2,1-2H3
InChIKeyKXEOQNVNOACWBL-UHFFFAOYSA-N
MW305.87 g/mol
LogP5.55
Rot. Bonds6

About 1-[2-(4-chlorophenyl)sulfanylphenyl]-N-ethylpropan-1-amine

1-[2-(4-chlorophenyl)sulfanylphenyl]-N-ethylpropan-1-amine (PubChem CID 115995754) has the molecular formula C17H20ClNS and a molecular weight of 305.87 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)sulfanylphenyl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)sulfanylphenyl]-N-ethylpropan-1-amine
PubChem CID115995754
Molecular FormulaC17H20ClNS
Molecular Weight305.87 g/mol
Exact Mass305.10
IUPAC Name1-[2-(4-chlorophenyl)sulfanylphenyl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNS/c1-3-16(19-4-2)15-7-5-6-8-17(15)20-14-11-9-13(18)10-12-14/h5-12,16,19H,3-4H2,1-2H3
InChIKeyKXEOQNVNOACWBL-UHFFFAOYSA-N
XLogP5.55
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 ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-[2-(4-methoxyphenyl)sulfanylphenyl]propan-1-amine
CID 115995781
(1S,2R)-1-amino-1-[2-(4-chlorophenyl)sulfanylphenyl]-3-methylpentan-2-ol;hydrochloride
CID 171271337
(1R,2S)-1-amino-1-[2-(4-chlorophenyl)sulfanylphenyl]pentan-2-ol
CID 171265664
1-(5-chloro-2-fluorophenyl)-N-ethylpropan-1-amine
CID 114886330
(1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]propane-1,3-diamine;hydrochloride
CID 171234701
(1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]ethane-1,2-diamine;hydrochloride
CID 171215065
(3S)-3-amino-3-[2-(4-chlorophenyl)sulfanylphenyl]-2,2-dimethylpropan-1-ol;hydrochloride
CID 171244664
N-ethyl-1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]propan-1-amine
CID 107780572
1-[2-(2-chlorophenyl)sulfanylphenyl]-N-methylpropan-1-amine
CID 112678556
(1S,2R)-1-amino-1-[2-(4-chlorophenyl)sulfanylphenyl]-3-methylbutan-2-ol
CID 171271330
(3S)-3-amino-3-[2-(4-chlorophenyl)sulfanylphenyl]propanenitrile
CID 171260206
1-(2-chlorophenyl)-2-(4-chlorophenyl)-N-ethylethanamine
CID 63412910

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)sulfanylphenyl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[2-(4-chlorophenyl)sulfanylphenyl]-N-ethylpropan-1-amine (CID 115995754) is 1-[2-(4-chlorophenyl)sulfanylphenyl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[2-(4-chlorophenyl)sulfanylphenyl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[2-(4-chlorophenyl)sulfanylphenyl]-N-ethylpropan-1-amine is CCNC(CC)c1ccccc1Sc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)sulfanylphenyl]-N-ethylpropan-1-amine?
The InChIKey is KXEOQNVNOACWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNS/c1-3-16(19-4-2)15-7-5-6-8-17(15)20-14-11-9-13(18)10-12-14/h5-12,16,19H,3-4H2,1-2H3.
What are the key properties of 1-[2-(4-chlorophenyl)sulfanylphenyl]-N-ethylpropan-1-amine?
1-[2-(4-chlorophenyl)sulfanylphenyl]-N-ethylpropan-1-amine has a molecular weight of 305.87 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)sulfanylphenyl]-N-ethylpropan-1-amine is sourced from PubChem (CID 115995754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).