N-[(4-bromo-3-methylphenyl)methyl]-1-methylcyclohexan-1-amine

C15H22BrN — CID 66473220

IUPACN-[(4-bromo-3-methylphenyl)methyl]-1-methylcyclohexan-1-amine
SMILESCc1cc(CNC2(C)CCCCC2)ccc1Br
InChIInChI=1S/C15H22BrN/c1-12-10-13(6-7-14(12)16)11-17-15(2)8-4-3-5-9-15/h6-7,10,17H,3-5,8-9,11H2,1-2H3
InChIKeyZQUTWBHMXJJFHF-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.57
Rot. Bonds3

About N-[(4-bromo-3-methylphenyl)methyl]-1-methylcyclohexan-1-amine

N-[(4-bromo-3-methylphenyl)methyl]-1-methylcyclohexan-1-amine (PubChem CID 66473220) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is N-[(4-bromo-3-methylphenyl)methyl]-1-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-methylphenyl)methyl]-1-methylcyclohexan-1-amine
PubChem CID66473220
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC NameN-[(4-bromo-3-methylphenyl)methyl]-1-methylcyclohexan-1-amine
SMILESCc1cc(CNC2(C)CCCCC2)ccc1Br
InChIInChI=1S/C15H22BrN/c1-12-10-13(6-7-14(12)16)11-17-15(2)8-4-3-5-9-15/h6-7,10,17H,3-5,8-9,11H2,1-2H3
InChIKeyZQUTWBHMXJJFHF-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-4-fluorophenyl)methyl]-1-methylcyclobutan-1-amine
CID 115765892
1-methyl-N-[(4-methylphenyl)methyl]cyclopentan-1-amine
CID 61365748
N-[(4-bromo-3-fluorophenyl)methyl]-1-methylcyclopropan-1-amine
CID 115702499
2,6-dibromo-4-[[(1-methylcyclohexyl)amino]methyl]phenol
CID 107740736
1-[[(4-bromo-3-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 79175035
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-methylcyclopentan-1-amine
CID 107342298
[4-[(4-bromo-3-methylphenyl)methylamino]oxan-4-yl]methanol
CID 71984686
4-[[(1-methylcyclobutyl)amino]methyl]benzene-1,2-diol
CID 115978825
4-bromo-3-[[(1-methylcyclopentyl)amino]methyl]aniline
CID 115297761
N-[(3-bromo-5-fluorophenyl)methyl]-1-methylcyclohexan-1-amine
CID 79710408
1-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclohexan-1-amine
CID 62096877
N-[(6-methoxynaphthalen-2-yl)methyl]-1-methylcyclopentan-1-amine
CID 61365160

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-methylphenyl)methyl]-1-methylcyclohexan-1-amine?
The IUPAC name of N-[(4-bromo-3-methylphenyl)methyl]-1-methylcyclohexan-1-amine (CID 66473220) is N-[(4-bromo-3-methylphenyl)methyl]-1-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(4-bromo-3-methylphenyl)methyl]-1-methylcyclohexan-1-amine?
The canonical SMILES for N-[(4-bromo-3-methylphenyl)methyl]-1-methylcyclohexan-1-amine is Cc1cc(CNC2(C)CCCCC2)ccc1Br.
What is the InChIKey of N-[(4-bromo-3-methylphenyl)methyl]-1-methylcyclohexan-1-amine?
The InChIKey is ZQUTWBHMXJJFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-12-10-13(6-7-14(12)16)11-17-15(2)8-4-3-5-9-15/h6-7,10,17H,3-5,8-9,11H2,1-2H3.
What are the key properties of N-[(4-bromo-3-methylphenyl)methyl]-1-methylcyclohexan-1-amine?
N-[(4-bromo-3-methylphenyl)methyl]-1-methylcyclohexan-1-amine has a molecular weight of 296.25 g/mol, XLogP of 4.57, 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]-1-methylcyclohexan-1-amine is sourced from PubChem (CID 66473220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).