1-[(4-bromophenyl)methyl]cyclohexan-1-amine

C13H18BrN — CID 47003188

IUPAC1-[(4-bromophenyl)methyl]cyclohexan-1-amine
SMILESNC1(Cc2ccc(Br)cc2)CCCCC1
InChIInChI=1S/C13H18BrN/c14-12-6-4-11(5-7-12)10-13(15)8-2-1-3-9-13/h4-7H,1-3,8-10,15H2
InChIKeyNRHDLICZUZLWMI-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.65
Rot. Bonds2

About 1-[(4-bromophenyl)methyl]cyclohexan-1-amine

1-[(4-bromophenyl)methyl]cyclohexan-1-amine (PubChem CID 47003188) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]cyclohexan-1-amine
PubChem CID47003188
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name1-[(4-bromophenyl)methyl]cyclohexan-1-amine
SMILESNC1(Cc2ccc(Br)cc2)CCCCC1
InChIInChI=1S/C13H18BrN/c14-12-6-4-11(5-7-12)10-13(15)8-2-1-3-9-13/h4-7H,1-3,8-10,15H2
InChIKeyNRHDLICZUZLWMI-UHFFFAOYSA-N
XLogP3.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-[(4-bromophenyl)methyl]cyclohexan-1-amine (CID 47003188) is 1-[(4-bromophenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[(4-bromophenyl)methyl]cyclohexan-1-amine is NC1(Cc2ccc(Br)cc2)CCCCC1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]cyclohexan-1-amine?
The InChIKey is NRHDLICZUZLWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c14-12-6-4-11(5-7-12)10-13(15)8-2-1-3-9-13/h4-7H,1-3,8-10,15H2.
What are the key properties of 1-[(4-bromophenyl)methyl]cyclohexan-1-amine?
1-[(4-bromophenyl)methyl]cyclohexan-1-amine has a molecular weight of 268.20 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 47003188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).