4-phenylcyclohexan-1-amine

C12H17N — CID 29897

IUPAC4-phenylcyclohexan-1-amine
SMILESNC1CCC(c2ccccc2)CC1
InChIInChI=1S/C12H17N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-12H,6-9,13H2
InChIKeySJISCEAZUHNOMD-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.67
Rot. Bonds1

About 4-phenylcyclohexan-1-amine

4-phenylcyclohexan-1-amine (PubChem CID 29897) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 4-phenylcyclohexan-1-amine.

Molecular Properties

Compound Name4-phenylcyclohexan-1-amine
PubChem CID29897
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name4-phenylcyclohexan-1-amine
SMILESNC1CCC(c2ccccc2)CC1
InChIInChI=1S/C12H17N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-12H,6-9,13H2
InChIKeySJISCEAZUHNOMD-UHFFFAOYSA-N
XLogP2.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-phenylcyclohexan-1-amine?
The IUPAC name of 4-phenylcyclohexan-1-amine (CID 29897) is 4-phenylcyclohexan-1-amine.
What is the SMILES notation for 4-phenylcyclohexan-1-amine?
The canonical SMILES for 4-phenylcyclohexan-1-amine is NC1CCC(c2ccccc2)CC1.
What is the InChIKey of 4-phenylcyclohexan-1-amine?
The InChIKey is SJISCEAZUHNOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-12H,6-9,13H2.
What are the key properties of 4-phenylcyclohexan-1-amine?
4-phenylcyclohexan-1-amine has a molecular weight of 175.28 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylcyclohexan-1-amine is sourced from PubChem (CID 29897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).