1-(3,4-dichlorophenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine

C17H19Cl2NS — CID 65143571

IUPAC1-(3,4-dichlorophenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine
SMILESCCNC(CSc1ccccc1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H19Cl2NS/c1-2-20-14(12-21-15-6-4-3-5-7-15)10-13-8-9-16(18)17(19)11-13/h3-9,11,14,20H,2,10,12H2,1H3
InChIKeyKJQHQLZGNAXBLN-UHFFFAOYSA-N
MW340.32 g/mol
LogP5.31
Rot. Bonds7

About 1-(3,4-dichlorophenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine

1-(3,4-dichlorophenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine (PubChem CID 65143571) has the molecular formula C17H19Cl2NS and a molecular weight of 340.32 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine
PubChem CID65143571
Molecular FormulaC17H19Cl2NS
Molecular Weight340.32 g/mol
Exact Mass339.06
IUPAC Name1-(3,4-dichlorophenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine
SMILESCCNC(CSc1ccccc1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H19Cl2NS/c1-2-20-14(12-21-15-6-4-3-5-7-15)10-13-8-9-16(18)17(19)11-13/h3-9,11,14,20H,2,10,12H2,1H3
InChIKeyKJQHQLZGNAXBLN-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.32
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine
CID 106867430
N-ethyl-1-phenylsulfanyl-3-thiophen-3-ylpropan-2-amine
CID 65143801
N-ethyl-1-(furan-3-yl)-3-phenylsulfanylpropan-2-amine
CID 83175239
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 107884664
1-(3-bromophenyl)-3-(3-bromophenyl)sulfanyl-N-ethylpropan-2-amine
CID 66161199
N-ethyl-1-(4-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66087202
1-(3,4-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 62604166
N-ethyl-4-methyl-1-phenylsulfanylpentan-2-amine
CID 65143197
1-(4-chlorophenyl)sulfanyl-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 104736457
1-(3,4-dichlorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105136549
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-ethylsulfanylpropan-2-amine
CID 114012714
N-[1-(3,4-dichlorophenyl)-2-phenylsulfanylethyl]propan-1-amine
CID 65143250

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine (CID 65143571) is 1-(3,4-dichlorophenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine is CCNC(CSc1ccccc1)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine?
The InChIKey is KJQHQLZGNAXBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NS/c1-2-20-14(12-21-15-6-4-3-5-7-15)10-13-8-9-16(18)17(19)11-13/h3-9,11,14,20H,2,10,12H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine?
1-(3,4-dichlorophenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine has a molecular weight of 340.32 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine is sourced from PubChem (CID 65143571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).