[2-[(4-bromophenyl)methyl]cyclohexyl]methanamine

C14H20BrN — CID 81011021

IUPAC[2-[(4-bromophenyl)methyl]cyclohexyl]methanamine
SMILESNCC1CCCCC1Cc1ccc(Br)cc1
InChIInChI=1S/C14H20BrN/c15-14-7-5-11(6-8-14)9-12-3-1-2-4-13(12)10-16/h5-8,12-13H,1-4,9-10,16H2
InChIKeyVWWZCPSEVADKLF-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.76
Rot. Bonds3

About [2-[(4-bromophenyl)methyl]cyclohexyl]methanamine

[2-[(4-bromophenyl)methyl]cyclohexyl]methanamine (PubChem CID 81011021) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is [2-[(4-bromophenyl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[(4-bromophenyl)methyl]cyclohexyl]methanamine
PubChem CID81011021
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name[2-[(4-bromophenyl)methyl]cyclohexyl]methanamine
SMILESNCC1CCCCC1Cc1ccc(Br)cc1
InChIInChI=1S/C14H20BrN/c15-14-7-5-11(6-8-14)9-12-3-1-2-4-13(12)10-16/h5-8,12-13H,1-4,9-10,16H2
InChIKeyVWWZCPSEVADKLF-UHFFFAOYSA-N
XLogP3.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-[(4-bromophenyl)methyl]-4-ethylcyclohexyl]methanamine
CID 81012573
[2-[(4-bromophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 81011643
[2-[(4-bromophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine
CID 81011476
1-bromo-4-(cyclopentylmethyl)benzene
CID 18754946
N-[[2-[(4-bromophenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81025704
1-bromo-4-(cyclohexylmethyl)benzene
CID 54108075
N-[[2-[(4-bromophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81025478
[2-[(5-bromo-2-pyridinyl)methyl]cyclopentyl]methanamine
CID 104813752
1-[2-[(4-bromophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 81016958
1-bromo-4-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene
CID 160773433
[2-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methanamine
CID 104813760
4-[(4-bromophenyl)methyl]thiolan-3-amine
CID 83197022

Frequently Asked Questions

What is the IUPAC name of [2-[(4-bromophenyl)methyl]cyclohexyl]methanamine?
The IUPAC name of [2-[(4-bromophenyl)methyl]cyclohexyl]methanamine (CID 81011021) is [2-[(4-bromophenyl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [2-[(4-bromophenyl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [2-[(4-bromophenyl)methyl]cyclohexyl]methanamine is NCC1CCCCC1Cc1ccc(Br)cc1.
What is the InChIKey of [2-[(4-bromophenyl)methyl]cyclohexyl]methanamine?
The InChIKey is VWWZCPSEVADKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c15-14-7-5-11(6-8-14)9-12-3-1-2-4-13(12)10-16/h5-8,12-13H,1-4,9-10,16H2.
What are the key properties of [2-[(4-bromophenyl)methyl]cyclohexyl]methanamine?
[2-[(4-bromophenyl)methyl]cyclohexyl]methanamine has a molecular weight of 282.22 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-bromophenyl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 81011021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).