N-[(3-bromophenyl)methyl]-1-(2-methylcyclohexyl)methanamine

C15H22BrN — CID 63455728

IUPACN-[(3-bromophenyl)methyl]-1-(2-methylcyclohexyl)methanamine
SMILESCC1CCCCC1CNCc1cccc(Br)c1
InChIInChI=1S/C15H22BrN/c1-12-5-2-3-7-14(12)11-17-10-13-6-4-8-15(16)9-13/h4,6,8-9,12,14,17H,2-3,5,7,10-11H2,1H3
InChIKeyHWNBQTARLJTIEM-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.36
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-1-(2-methylcyclohexyl)methanamine

N-[(3-bromophenyl)methyl]-1-(2-methylcyclohexyl)methanamine (PubChem CID 63455728) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-(2-methylcyclohexyl)methanamine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-(2-methylcyclohexyl)methanamine
PubChem CID63455728
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC NameN-[(3-bromophenyl)methyl]-1-(2-methylcyclohexyl)methanamine
SMILESCC1CCCCC1CNCc1cccc(Br)c1
InChIInChI=1S/C15H22BrN/c1-12-5-2-3-7-14(12)11-17-10-13-6-4-8-15(16)9-13/h4,6,8-9,12,14,17H,2-3,5,7,10-11H2,1H3
InChIKeyHWNBQTARLJTIEM-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromophenyl)methyl]-1-cyclohexylmethanamine
CID 43215546
N-[(3-bromophenyl)methyl]-1-cyclobutylmethanamine
CID 43298546
N-[(3-bromophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43178720
N-[(3,4-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 55194085
2-bromo-4-[[(2-methylcyclopentyl)methylamino]methyl]phenol
CID 107416951
N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 63456073
1-(2-methylcyclohexyl)-N-[(4-methylphenyl)methyl]methanamine
CID 63455202
N-[(3-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 63451744
N-[(3-bromophenyl)methyl]-1-(thian-2-yl)methanamine
CID 80594881
N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107417631
1-(2-methylcyclopentyl)-N-[(4-methylphenyl)methyl]methanamine
CID 107416782
N-[(2-methylcyclohexyl)methyl]-3-phenylpropan-1-amine
CID 63454499

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-(2-methylcyclohexyl)methanamine?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-(2-methylcyclohexyl)methanamine (CID 63455728) is N-[(3-bromophenyl)methyl]-1-(2-methylcyclohexyl)methanamine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-(2-methylcyclohexyl)methanamine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-(2-methylcyclohexyl)methanamine is CC1CCCCC1CNCc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-(2-methylcyclohexyl)methanamine?
The InChIKey is HWNBQTARLJTIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-12-5-2-3-7-14(12)11-17-10-13-6-4-8-15(16)9-13/h4,6,8-9,12,14,17H,2-3,5,7,10-11H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-1-(2-methylcyclohexyl)methanamine?
N-[(3-bromophenyl)methyl]-1-(2-methylcyclohexyl)methanamine has a molecular weight of 296.25 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-(2-methylcyclohexyl)methanamine is sourced from PubChem (CID 63455728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).