1-[1-(4-chlorophenyl)cyclohexyl]-N,2-dimethylpropan-1-amine

C17H26ClN — CID 68674711

IUPAC1-[1-(4-chlorophenyl)cyclohexyl]-N,2-dimethylpropan-1-amine
SMILESCNC(C(C)C)C1(c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C17H26ClN/c1-13(2)16(19-3)17(11-5-4-6-12-17)14-7-9-15(18)10-8-14/h7-10,13,16,19H,4-6,11-12H2,1-3H3
InChIKeyKAOBGFMQDVKDKV-UHFFFAOYSA-N
MW279.86 g/mol
LogP4.79
Rot. Bonds4

About 1-[1-(4-chlorophenyl)cyclohexyl]-N,2-dimethylpropan-1-amine

1-[1-(4-chlorophenyl)cyclohexyl]-N,2-dimethylpropan-1-amine (PubChem CID 68674711) has the molecular formula C17H26ClN and a molecular weight of 279.86 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)cyclohexyl]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)cyclohexyl]-N,2-dimethylpropan-1-amine
PubChem CID68674711
Molecular FormulaC17H26ClN
Molecular Weight279.86 g/mol
Exact Mass279.18
IUPAC Name1-[1-(4-chlorophenyl)cyclohexyl]-N,2-dimethylpropan-1-amine
SMILESCNC(C(C)C)C1(c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C17H26ClN/c1-13(2)16(19-3)17(11-5-4-6-12-17)14-7-9-15(18)10-8-14/h7-10,13,16,19H,4-6,11-12H2,1-3H3
InChIKeyKAOBGFMQDVKDKV-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.86
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)cyclohexyl]-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-[1-(4-chlorophenyl)cyclohexyl]-N,2-dimethylpropan-1-amine (CID 68674711) is 1-[1-(4-chlorophenyl)cyclohexyl]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)cyclohexyl]-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-[1-(4-chlorophenyl)cyclohexyl]-N,2-dimethylpropan-1-amine is CNC(C(C)C)C1(c2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)cyclohexyl]-N,2-dimethylpropan-1-amine?
The InChIKey is KAOBGFMQDVKDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-13(2)16(19-3)17(11-5-4-6-12-17)14-7-9-15(18)10-8-14/h7-10,13,16,19H,4-6,11-12H2,1-3H3.
What are the key properties of 1-[1-(4-chlorophenyl)cyclohexyl]-N,2-dimethylpropan-1-amine?
1-[1-(4-chlorophenyl)cyclohexyl]-N,2-dimethylpropan-1-amine has a molecular weight of 279.86 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)cyclohexyl]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 68674711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).