4-bromo-4-phenylcyclohexan-1-amine

C12H16BrN — CID 178078365

IUPAC4-bromo-4-phenylcyclohexan-1-amine
SMILESNC1CCC(Br)(c2ccccc2)CC1
InChIInChI=1S/C12H16BrN/c13-12(8-6-11(14)7-9-12)10-4-2-1-3-5-10/h1-5,11H,6-9,14H2
InChIKeyIYBXVEBSJCGJSH-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.18
Rot. Bonds1

About 4-bromo-4-phenylcyclohexan-1-amine

4-bromo-4-phenylcyclohexan-1-amine (PubChem CID 178078365) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 4-bromo-4-phenylcyclohexan-1-amine.

Molecular Properties

Compound Name4-bromo-4-phenylcyclohexan-1-amine
PubChem CID178078365
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name4-bromo-4-phenylcyclohexan-1-amine
SMILESNC1CCC(Br)(c2ccccc2)CC1
InChIInChI=1S/C12H16BrN/c13-12(8-6-11(14)7-9-12)10-4-2-1-3-5-10/h1-5,11H,6-9,14H2
InChIKeyIYBXVEBSJCGJSH-UHFFFAOYSA-N
XLogP3.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-4-phenylcyclohexan-1-amine?
The IUPAC name of 4-bromo-4-phenylcyclohexan-1-amine (CID 178078365) is 4-bromo-4-phenylcyclohexan-1-amine.
What is the SMILES notation for 4-bromo-4-phenylcyclohexan-1-amine?
The canonical SMILES for 4-bromo-4-phenylcyclohexan-1-amine is NC1CCC(Br)(c2ccccc2)CC1.
What is the InChIKey of 4-bromo-4-phenylcyclohexan-1-amine?
The InChIKey is IYBXVEBSJCGJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c13-12(8-6-11(14)7-9-12)10-4-2-1-3-5-10/h1-5,11H,6-9,14H2.
What are the key properties of 4-bromo-4-phenylcyclohexan-1-amine?
4-bromo-4-phenylcyclohexan-1-amine has a molecular weight of 254.17 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-4-phenylcyclohexan-1-amine is sourced from PubChem (CID 178078365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).