2-[2-(4-chlorophenyl)propan-2-yl]-5-methylcyclohexan-1-amine

C16H24ClN — CID 64765559

IUPAC2-[2-(4-chlorophenyl)propan-2-yl]-5-methylcyclohexan-1-amine
SMILESCC1CCC(C(C)(C)c2ccc(Cl)cc2)C(N)C1
InChIInChI=1S/C16H24ClN/c1-11-4-9-14(15(18)10-11)16(2,3)12-5-7-13(17)8-6-12/h5-8,11,14-15H,4,9-10,18H2,1-3H3
InChIKeyWDMSEQGAUMGDDF-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.38
Rot. Bonds2

About 2-[2-(4-chlorophenyl)propan-2-yl]-5-methylcyclohexan-1-amine

2-[2-(4-chlorophenyl)propan-2-yl]-5-methylcyclohexan-1-amine (PubChem CID 64765559) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)propan-2-yl]-5-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)propan-2-yl]-5-methylcyclohexan-1-amine
PubChem CID64765559
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name2-[2-(4-chlorophenyl)propan-2-yl]-5-methylcyclohexan-1-amine
SMILESCC1CCC(C(C)(C)c2ccc(Cl)cc2)C(N)C1
InChIInChI=1S/C16H24ClN/c1-11-4-9-14(15(18)10-11)16(2,3)12-5-7-13(17)8-6-12/h5-8,11,14-15H,4,9-10,18H2,1-3H3
InChIKeyWDMSEQGAUMGDDF-UHFFFAOYSA-N
XLogP4.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)propan-2-yl]-5-methylcyclohexan-1-amine?
The IUPAC name of 2-[2-(4-chlorophenyl)propan-2-yl]-5-methylcyclohexan-1-amine (CID 64765559) is 2-[2-(4-chlorophenyl)propan-2-yl]-5-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[2-(4-chlorophenyl)propan-2-yl]-5-methylcyclohexan-1-amine?
The canonical SMILES for 2-[2-(4-chlorophenyl)propan-2-yl]-5-methylcyclohexan-1-amine is CC1CCC(C(C)(C)c2ccc(Cl)cc2)C(N)C1.
What is the InChIKey of 2-[2-(4-chlorophenyl)propan-2-yl]-5-methylcyclohexan-1-amine?
The InChIKey is WDMSEQGAUMGDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-11-4-9-14(15(18)10-11)16(2,3)12-5-7-13(17)8-6-12/h5-8,11,14-15H,4,9-10,18H2,1-3H3.
What are the key properties of 2-[2-(4-chlorophenyl)propan-2-yl]-5-methylcyclohexan-1-amine?
2-[2-(4-chlorophenyl)propan-2-yl]-5-methylcyclohexan-1-amine has a molecular weight of 265.83 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)propan-2-yl]-5-methylcyclohexan-1-amine is sourced from PubChem (CID 64765559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).