1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropan-2-amine

C16H17Cl2NOS — CID 66143977

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropan-2-amine
SMILESCOc1ccc(Cl)cc1CC(N)CSc1ccc(Cl)cc1
InChIInChI=1S/C16H17Cl2NOS/c1-20-16-7-4-13(18)8-11(16)9-14(19)10-21-15-5-2-12(17)3-6-15/h2-8,14H,9-10,19H2,1H3
InChIKeyXMEFXZCHBLRYKS-UHFFFAOYSA-N
MW342.29 g/mol
LogP4.66
Rot. Bonds6

About 1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropan-2-amine

1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropan-2-amine (PubChem CID 66143977) has the molecular formula C16H17Cl2NOS and a molecular weight of 342.29 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropan-2-amine
PubChem CID66143977
Molecular FormulaC16H17Cl2NOS
Molecular Weight342.29 g/mol
Exact Mass341.04
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropan-2-amine
SMILESCOc1ccc(Cl)cc1CC(N)CSc1ccc(Cl)cc1
InChIInChI=1S/C16H17Cl2NOS/c1-20-16-7-4-13(18)8-11(16)9-14(19)10-21-15-5-2-12(17)3-6-15/h2-8,14H,9-10,19H2,1H3
InChIKeyXMEFXZCHBLRYKS-UHFFFAOYSA-N
XLogP4.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.29
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)sulfanylpropan-2-amine
CID 66145992
1-(5-chloro-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65131585
1-(5-chloro-2-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63891932
1-(4-chlorophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-amine
CID 66144761
1-(4-chlorophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105374048
2-(5-chloro-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 115845008
3-amino-4-(5-chloro-2-methoxyphenyl)butanoic acid
CID 82478281
1-(4-fluorophenyl)sulfanyl-3-(2-methoxyphenyl)propan-2-amine
CID 66070984
1-(5-chloro-2-methoxyphenyl)-3-(2-fluorophenyl)propan-2-amine
CID 62605724
1-(5-chloro-2-methoxyphenyl)-3-methyl-4-methylsulfanylbutan-2-amine
CID 114221939
1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 62602017
1-(2-chlorophenyl)sulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 66139563

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropan-2-amine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropan-2-amine (CID 66143977) is 1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropan-2-amine is COc1ccc(Cl)cc1CC(N)CSc1ccc(Cl)cc1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropan-2-amine?
The InChIKey is XMEFXZCHBLRYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NOS/c1-20-16-7-4-13(18)8-11(16)9-14(19)10-21-15-5-2-12(17)3-6-15/h2-8,14H,9-10,19H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropan-2-amine?
1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropan-2-amine has a molecular weight of 342.29 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 66143977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).