1-(2-chlorophenyl)-2,5-dimethylcyclohexan-1-amine

C14H20ClN — CID 64761387

IUPAC1-(2-chlorophenyl)-2,5-dimethylcyclohexan-1-amine
SMILESCC1CCC(C)C(N)(c2ccccc2Cl)C1
InChIInChI=1S/C14H20ClN/c1-10-7-8-11(2)14(16,9-10)12-5-3-4-6-13(12)15/h3-6,10-11H,7-9,16H2,1-2H3
InChIKeyOJTUYBNZNWUQTL-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.95
Rot. Bonds1

About 1-(2-chlorophenyl)-2,5-dimethylcyclohexan-1-amine

1-(2-chlorophenyl)-2,5-dimethylcyclohexan-1-amine (PubChem CID 64761387) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2,5-dimethylcyclohexan-1-amine
PubChem CID64761387
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name1-(2-chlorophenyl)-2,5-dimethylcyclohexan-1-amine
SMILESCC1CCC(C)C(N)(c2ccccc2Cl)C1
InChIInChI=1S/C14H20ClN/c1-10-7-8-11(2)14(16,9-10)12-5-3-4-6-13(12)15/h3-6,10-11H,7-9,16H2,1-2H3
InChIKeyOJTUYBNZNWUQTL-UHFFFAOYSA-N
XLogP3.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2,5-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(2-chlorophenyl)-2,5-dimethylcyclohexan-1-amine (CID 64761387) is 1-(2-chlorophenyl)-2,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-2,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(2-chlorophenyl)-2,5-dimethylcyclohexan-1-amine is CC1CCC(C)C(N)(c2ccccc2Cl)C1.
What is the InChIKey of 1-(2-chlorophenyl)-2,5-dimethylcyclohexan-1-amine?
The InChIKey is OJTUYBNZNWUQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-10-7-8-11(2)14(16,9-10)12-5-3-4-6-13(12)15/h3-6,10-11H,7-9,16H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-2,5-dimethylcyclohexan-1-amine?
1-(2-chlorophenyl)-2,5-dimethylcyclohexan-1-amine has a molecular weight of 237.77 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64761387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).