1-(2-benzylsulfanyl-5-chlorophenyl)propan-2-amine

C16H18ClNS — CID 114865844

IUPAC1-(2-benzylsulfanyl-5-chlorophenyl)propan-2-amine
SMILESCC(N)Cc1cc(Cl)ccc1SCc1ccccc1
InChIInChI=1S/C16H18ClNS/c1-12(18)9-14-10-15(17)7-8-16(14)19-11-13-5-3-2-4-6-13/h2-8,10,12H,9,11,18H2,1H3
InChIKeyFGDFIXQKGYRGBI-UHFFFAOYSA-N
MW291.85 g/mol
LogP4.52
Rot. Bonds5

About 1-(2-benzylsulfanyl-5-chlorophenyl)propan-2-amine

1-(2-benzylsulfanyl-5-chlorophenyl)propan-2-amine (PubChem CID 114865844) has the molecular formula C16H18ClNS and a molecular weight of 291.85 g/mol. Its IUPAC name is 1-(2-benzylsulfanyl-5-chlorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-benzylsulfanyl-5-chlorophenyl)propan-2-amine
PubChem CID114865844
Molecular FormulaC16H18ClNS
Molecular Weight291.85 g/mol
Exact Mass291.08
IUPAC Name1-(2-benzylsulfanyl-5-chlorophenyl)propan-2-amine
SMILESCC(N)Cc1cc(Cl)ccc1SCc1ccccc1
InChIInChI=1S/C16H18ClNS/c1-12(18)9-14-10-15(17)7-8-16(14)19-11-13-5-3-2-4-6-13/h2-8,10,12H,9,11,18H2,1H3
InChIKeyFGDFIXQKGYRGBI-UHFFFAOYSA-N
XLogP4.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.85
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(2-benzylsulfanylphenyl)propan-2-amine
CID 124557626
1-(2-benzylsulfanyl-4-chlorophenyl)butan-2-amine
CID 114865854
1-[5-chloro-2-[(2-chlorophenyl)methylsulfanyl]phenyl]butan-2-amine
CID 103290913
1-benzylsulfanyl-2-(2-methylpropyl)benzene
CID 57222449
N-[(2-benzylsulfanyl-4-chlorophenyl)methyl]-2-methylpropan-1-amine
CID 114863938
1-[4-chloro-2-(furan-2-ylmethylsulfanyl)phenyl]propan-2-amine
CID 114866129
1-[5-chloro-2-(furan-2-ylmethylsulfanyl)phenyl]butan-2-amine
CID 114866131
1-(3,5-dichloro-2-phenylmethoxyphenyl)propan-2-amine
CID 60907532
1-[5-chloro-2-(4-methoxyphenyl)sulfanylphenyl]propan-2-amine
CID 114865963
N-[(2-benzylsulfanyl-4-chlorophenyl)methyl]-2-methylpropan-2-amine
CID 114863931
1-[2-[(3-bromo-2-pyridinyl)sulfanyl]-5-chlorophenyl]propan-2-amine
CID 114866424
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylsulfanyl-5-chlorophenyl)propan-2-amine?
The IUPAC name of 1-(2-benzylsulfanyl-5-chlorophenyl)propan-2-amine (CID 114865844) is 1-(2-benzylsulfanyl-5-chlorophenyl)propan-2-amine.
What is the SMILES notation for 1-(2-benzylsulfanyl-5-chlorophenyl)propan-2-amine?
The canonical SMILES for 1-(2-benzylsulfanyl-5-chlorophenyl)propan-2-amine is CC(N)Cc1cc(Cl)ccc1SCc1ccccc1.
What is the InChIKey of 1-(2-benzylsulfanyl-5-chlorophenyl)propan-2-amine?
The InChIKey is FGDFIXQKGYRGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNS/c1-12(18)9-14-10-15(17)7-8-16(14)19-11-13-5-3-2-4-6-13/h2-8,10,12H,9,11,18H2,1H3.
What are the key properties of 1-(2-benzylsulfanyl-5-chlorophenyl)propan-2-amine?
1-(2-benzylsulfanyl-5-chlorophenyl)propan-2-amine has a molecular weight of 291.85 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylsulfanyl-5-chlorophenyl)propan-2-amine is sourced from PubChem (CID 114865844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).