N-[(4-bromophenyl)methyl]-2,6-dimethylcyclohexan-1-amine

C15H22BrN — CID 60734781

IUPACN-[(4-bromophenyl)methyl]-2,6-dimethylcyclohexan-1-amine
SMILESCC1CCCC(C)C1NCc1ccc(Br)cc1
InChIInChI=1S/C15H22BrN/c1-11-4-3-5-12(2)15(11)17-10-13-6-8-14(16)9-7-13/h6-9,11-12,15,17H,3-5,10H2,1-2H3
InChIKeyYUPOCIYHOHSAGC-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.36
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-2,6-dimethylcyclohexan-1-amine

N-[(4-bromophenyl)methyl]-2,6-dimethylcyclohexan-1-amine (PubChem CID 60734781) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2,6-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2,6-dimethylcyclohexan-1-amine
PubChem CID60734781
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC NameN-[(4-bromophenyl)methyl]-2,6-dimethylcyclohexan-1-amine
SMILESCC1CCCC(C)C1NCc1ccc(Br)cc1
InChIInChI=1S/C15H22BrN/c1-11-4-3-5-12(2)15(11)17-10-13-6-8-14(16)9-7-13/h6-9,11-12,15,17H,3-5,10H2,1-2H3
InChIKeyYUPOCIYHOHSAGC-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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-[(4-bromophenyl)methyl]cyclopentanamine;hydrochloride
CID 17289669
N-[(4-bromophenyl)methyl]cycloheptanamine;hydrochloride
CID 17294485
N-[(4-bromophenyl)methyl]-4-ethylcycloheptan-1-amine
CID 65082609
2,6-ditert-butyl-N-[[4-[[(2,6-ditert-butylcyclohexyl)amino]methyl]phenyl]methyl]cyclohexan-1-amine
CID 22251758
N-[[3-(methoxymethyl)phenyl]methyl]-2,6-dimethylcyclohexan-1-amine
CID 54896550
2-N-[(4-bromophenyl)methyl]-1-N-[(4-propylphenyl)methyl]cyclohexane-1,2-diamine
CID 71500072
N-[(4-bromophenyl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114122665
1-bromo-4-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene
CID 107183537
N-[(4-tert-butylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 55194302
(1S,2S,3R)-2,3-dimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 11923056
N-[(4-bromophenyl)methyl]-2-methylsulfonylcyclohexan-1-amine
CID 75471725
(1R,2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 11920641

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2,6-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-2,6-dimethylcyclohexan-1-amine (CID 60734781) is N-[(4-bromophenyl)methyl]-2,6-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2,6-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2,6-dimethylcyclohexan-1-amine is CC1CCCC(C)C1NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2,6-dimethylcyclohexan-1-amine?
The InChIKey is YUPOCIYHOHSAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-11-4-3-5-12(2)15(11)17-10-13-6-8-14(16)9-7-13/h6-9,11-12,15,17H,3-5,10H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)methyl]-2,6-dimethylcyclohexan-1-amine?
N-[(4-bromophenyl)methyl]-2,6-dimethylcyclohexan-1-amine has a molecular weight of 296.25 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2,6-dimethylcyclohexan-1-amine is sourced from PubChem (CID 60734781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).