2-bromo-N-[(3,5-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine

C16H24BrN — CID 102637234

IUPAC2-bromo-N-[(3,5-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCc1cc(C)cc(CN(C)C2CCCCC2Br)c1
InChIInChI=1S/C16H24BrN/c1-12-8-13(2)10-14(9-12)11-18(3)16-7-5-4-6-15(16)17/h8-10,15-16H,4-7,11H2,1-3H3
InChIKeyIRSTVDCNVCOZTN-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.44
Rot. Bonds3

About 2-bromo-N-[(3,5-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine

2-bromo-N-[(3,5-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine (PubChem CID 102637234) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is 2-bromo-N-[(3,5-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-bromo-N-[(3,5-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine
PubChem CID102637234
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name2-bromo-N-[(3,5-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCc1cc(C)cc(CN(C)C2CCCCC2Br)c1
InChIInChI=1S/C16H24BrN/c1-12-8-13(2)10-14(9-12)11-18(3)16-7-5-4-6-15(16)17/h8-10,15-16H,4-7,11H2,1-3H3
InChIKeyIRSTVDCNVCOZTN-UHFFFAOYSA-N
XLogP4.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine
CID 102637218
2-bromo-N-[(3,4-dimethoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 102637367
2-bromo-N-[(2,6-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 102637231
2-bromo-N-[(2,6-difluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 102637204
2-bromo-N-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine
CID 102637268
2-bromo-N-methyl-N-(4-phenylbutyl)cyclohexan-1-amine
CID 102637342
2,6-difluoro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol
CID 82986680
2-bromo-N-methyl-N-(quinolin-2-ylmethyl)cyclohexan-1-amine
CID 102637233
2,6-dichloro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline
CID 82833472
2-bromo-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 102637295
2-[methyl-[(4-methylphenyl)methyl]amino]cycloheptane-1-carboxylic acid
CID 63067382
2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,2-diamine
CID 102639798

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3,5-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 2-bromo-N-[(3,5-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine (CID 102637234) is 2-bromo-N-[(3,5-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-bromo-N-[(3,5-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-bromo-N-[(3,5-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine is Cc1cc(C)cc(CN(C)C2CCCCC2Br)c1.
What is the InChIKey of 2-bromo-N-[(3,5-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is IRSTVDCNVCOZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-12-8-13(2)10-14(9-12)11-18(3)16-7-5-4-6-15(16)17/h8-10,15-16H,4-7,11H2,1-3H3.
What are the key properties of 2-bromo-N-[(3,5-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine?
2-bromo-N-[(3,5-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 310.28 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3,5-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 102637234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).