1-(4-chlorophenyl)-3-cyclohexylsulfanylpropan-2-amine

C15H22ClNS — CID 65139954

IUPAC1-(4-chlorophenyl)-3-cyclohexylsulfanylpropan-2-amine
SMILESNC(CSC1CCCCC1)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNS/c16-13-8-6-12(7-9-13)10-14(17)11-18-15-4-2-1-3-5-15/h6-9,14-15H,1-5,10-11,17H2
InChIKeyBHQDQHNYZHBSJK-UHFFFAOYSA-N
MW283.87 g/mol
LogP4.28
Rot. Bonds5

About 1-(4-chlorophenyl)-3-cyclohexylsulfanylpropan-2-amine

1-(4-chlorophenyl)-3-cyclohexylsulfanylpropan-2-amine (PubChem CID 65139954) has the molecular formula C15H22ClNS and a molecular weight of 283.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-cyclohexylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-cyclohexylsulfanylpropan-2-amine
PubChem CID65139954
Molecular FormulaC15H22ClNS
Molecular Weight283.87 g/mol
Exact Mass283.12
IUPAC Name1-(4-chlorophenyl)-3-cyclohexylsulfanylpropan-2-amine
SMILESNC(CSC1CCCCC1)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNS/c16-13-8-6-12(7-9-13)10-14(17)11-18-15-4-2-1-3-5-15/h6-9,14-15H,1-5,10-11,17H2
InChIKeyBHQDQHNYZHBSJK-UHFFFAOYSA-N
XLogP4.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.87
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-cyclohexylsulfanylpropan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-3-cyclohexylsulfanylpropan-2-amine (CID 65139954) is 1-(4-chlorophenyl)-3-cyclohexylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-3-cyclohexylsulfanylpropan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-3-cyclohexylsulfanylpropan-2-amine is NC(CSC1CCCCC1)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-cyclohexylsulfanylpropan-2-amine?
The InChIKey is BHQDQHNYZHBSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNS/c16-13-8-6-12(7-9-13)10-14(17)11-18-15-4-2-1-3-5-15/h6-9,14-15H,1-5,10-11,17H2.
What are the key properties of 1-(4-chlorophenyl)-3-cyclohexylsulfanylpropan-2-amine?
1-(4-chlorophenyl)-3-cyclohexylsulfanylpropan-2-amine has a molecular weight of 283.87 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-cyclohexylsulfanylpropan-2-amine is sourced from PubChem (CID 65139954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).