3-(2-chlorophenyl)sulfanyl-N-methyl-3-phenylpropan-1-amine;hydrochloride

C16H19Cl2NS — CID 159931174

IUPAC3-(2-chlorophenyl)sulfanyl-N-methyl-3-phenylpropan-1-amine;hydrochloride
SMILESCNCCC(Sc1ccccc1Cl)c1ccccc1.Cl
InChIInChI=1S/C16H18ClNS.ClH/c1-18-12-11-15(13-7-3-2-4-8-13)19-16-10-6-5-9-14(16)17;/h2-10,15,18H,11-12H2,1H3;1H
InChIKeyIZPYKPLYXKTTKX-UHFFFAOYSA-N
MW328.31 g/mol
LogP5.20
Rot. Bonds6

About 3-(2-chlorophenyl)sulfanyl-N-methyl-3-phenylpropan-1-amine;hydrochloride

3-(2-chlorophenyl)sulfanyl-N-methyl-3-phenylpropan-1-amine;hydrochloride (PubChem CID 159931174) has the molecular formula C16H19Cl2NS and a molecular weight of 328.31 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfanyl-N-methyl-3-phenylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfanyl-N-methyl-3-phenylpropan-1-amine;hydrochloride
PubChem CID159931174
Molecular FormulaC16H19Cl2NS
Molecular Weight328.31 g/mol
Exact Mass327.06
IUPAC Name3-(2-chlorophenyl)sulfanyl-N-methyl-3-phenylpropan-1-amine;hydrochloride
SMILESCNCCC(Sc1ccccc1Cl)c1ccccc1.Cl
InChIInChI=1S/C16H18ClNS.ClH/c1-18-12-11-15(13-7-3-2-4-8-13)19-16-10-6-5-9-14(16)17;/h2-10,15,18H,11-12H2,1H3;1H
InChIKeyIZPYKPLYXKTTKX-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.31
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfanyl-N-methyl-3-phenylpropan-1-amine;hydrochloride?
The IUPAC name of 3-(2-chlorophenyl)sulfanyl-N-methyl-3-phenylpropan-1-amine;hydrochloride (CID 159931174) is 3-(2-chlorophenyl)sulfanyl-N-methyl-3-phenylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-(2-chlorophenyl)sulfanyl-N-methyl-3-phenylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-(2-chlorophenyl)sulfanyl-N-methyl-3-phenylpropan-1-amine;hydrochloride is CNCCC(Sc1ccccc1Cl)c1ccccc1.Cl.
What is the InChIKey of 3-(2-chlorophenyl)sulfanyl-N-methyl-3-phenylpropan-1-amine;hydrochloride?
The InChIKey is IZPYKPLYXKTTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNS.ClH/c1-18-12-11-15(13-7-3-2-4-8-13)19-16-10-6-5-9-14(16)17;/h2-10,15,18H,11-12H2,1H3;1H.
What are the key properties of 3-(2-chlorophenyl)sulfanyl-N-methyl-3-phenylpropan-1-amine;hydrochloride?
3-(2-chlorophenyl)sulfanyl-N-methyl-3-phenylpropan-1-amine;hydrochloride has a molecular weight of 328.31 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfanyl-N-methyl-3-phenylpropan-1-amine;hydrochloride is sourced from PubChem (CID 159931174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).