1-(5-chloro-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-amine

C13H20ClNOS — CID 65131585

IUPAC1-(5-chloro-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-amine
SMILESCOc1ccc(Cl)cc1CC(N)CSC(C)C
InChIInChI=1S/C13H20ClNOS/c1-9(2)17-8-12(15)7-10-6-11(14)4-5-13(10)16-3/h4-6,9,12H,7-8,15H2,1-3H3
InChIKeyPTQPVHVBALEELS-UHFFFAOYSA-N
MW273.83 g/mol
LogP3.36
Rot. Bonds6

About 1-(5-chloro-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-amine

1-(5-chloro-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-amine (PubChem CID 65131585) has the molecular formula C13H20ClNOS and a molecular weight of 273.83 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-amine
PubChem CID65131585
Molecular FormulaC13H20ClNOS
Molecular Weight273.83 g/mol
Exact Mass273.10
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-amine
SMILESCOc1ccc(Cl)cc1CC(N)CSC(C)C
InChIInChI=1S/C13H20ClNOS/c1-9(2)17-8-12(15)7-10-6-11(14)4-5-13(10)16-3/h4-6,9,12H,7-8,15H2,1-3H3
InChIKeyPTQPVHVBALEELS-UHFFFAOYSA-N
XLogP3.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.83
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropan-2-amine
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1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)sulfanylpropan-2-amine
CID 66145992
1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine
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1-(5-chloro-2-methoxyphenyl)-3-methyl-4-methylsulfanylbutan-2-amine
CID 114221939
1-(5-chloro-2-methoxyphenyl)-4,4-dimethylpentan-2-amine
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1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-amine
CID 63561705
3-amino-4-(5-chloro-2-methoxyphenyl)butanoic acid
CID 82478281
1-(5-chloro-2-methoxyphenyl)-3-(2-fluorophenyl)propan-2-amine
CID 62605724
1-butan-2-ylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 65136479
2-(5-chloro-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 115845008
[1-(5-chloro-2-methoxyphenyl)-3-methoxybutan-2-yl]hydrazine
CID 105246987
2-(5-chloro-2-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 115845037

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-amine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-amine (CID 65131585) is 1-(5-chloro-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-amine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-amine is COc1ccc(Cl)cc1CC(N)CSC(C)C.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-amine?
The InChIKey is PTQPVHVBALEELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNOS/c1-9(2)17-8-12(15)7-10-6-11(14)4-5-13(10)16-3/h4-6,9,12H,7-8,15H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-amine?
1-(5-chloro-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-amine has a molecular weight of 273.83 g/mol, XLogP of 3.36, 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-propan-2-ylsulfanylpropan-2-amine is sourced from PubChem (CID 65131585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).