N-[(4-bromo-3-methylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine

C16H24BrN — CID 66474224

IUPACN-[(4-bromo-3-methylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
SMILESCc1cc(CNC2CCC(C)CC2C)ccc1Br
InChIInChI=1S/C16H24BrN/c1-11-4-7-16(13(3)8-11)18-10-14-5-6-15(17)12(2)9-14/h5-6,9,11,13,16,18H,4,7-8,10H2,1-3H3
InChIKeyIGMKODYFNJEBCF-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.67
Rot. Bonds3

About N-[(4-bromo-3-methylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine

N-[(4-bromo-3-methylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine (PubChem CID 66474224) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is N-[(4-bromo-3-methylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-methylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
PubChem CID66474224
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC NameN-[(4-bromo-3-methylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
SMILESCc1cc(CNC2CCC(C)CC2C)ccc1Br
InChIInChI=1S/C16H24BrN/c1-11-4-7-16(13(3)8-11)18-10-14-5-6-15(17)12(2)9-14/h5-6,9,11,13,16,18H,4,7-8,10H2,1-3H3
InChIKeyIGMKODYFNJEBCF-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,4-dimethylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994501
N-[(2-bromo-5-chlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 66161363
4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-fluorophenol
CID 113423514
N-[(4-chloro-3-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994116
N-[(4-tert-butylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994093
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993879
4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methoxyphenol
CID 63994863
N-[(3,4-dimethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64908240
N-[(3,5-dichlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993891
N-[(4-bromo-3-methylphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 66473412
2-methyl-4-[[(2-methylcyclopropyl)amino]methyl]aniline
CID 62408815
N-[(4-ethoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994455

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-methylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(4-bromo-3-methylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine (CID 66474224) is N-[(4-bromo-3-methylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(4-bromo-3-methylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(4-bromo-3-methylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine is Cc1cc(CNC2CCC(C)CC2C)ccc1Br.
What is the InChIKey of N-[(4-bromo-3-methylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
The InChIKey is IGMKODYFNJEBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-11-4-7-16(13(3)8-11)18-10-14-5-6-15(17)12(2)9-14/h5-6,9,11,13,16,18H,4,7-8,10H2,1-3H3.
What are the key properties of N-[(4-bromo-3-methylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
N-[(4-bromo-3-methylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine has a molecular weight of 310.28 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-methylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 66474224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).