2-bromo-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine

C17H26BrN — CID 102637218

IUPAC2-bromo-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine
SMILESCc1cc(C)c(CN(C)C2CCCCC2Br)c(C)c1
InChIInChI=1S/C17H26BrN/c1-12-9-13(2)15(14(3)10-12)11-19(4)17-8-6-5-7-16(17)18/h9-10,16-17H,5-8,11H2,1-4H3
InChIKeyIYFHBUGACGWJIH-UHFFFAOYSA-N
MW324.31 g/mol
LogP4.75
Rot. Bonds3

About 2-bromo-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine

2-bromo-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine (PubChem CID 102637218) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-bromo-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine
PubChem CID102637218
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC Name2-bromo-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine
SMILESCc1cc(C)c(CN(C)C2CCCCC2Br)c(C)c1
InChIInChI=1S/C17H26BrN/c1-12-9-13(2)15(14(3)10-12)11-19(4)17-8-6-5-7-16(17)18/h9-10,16-17H,5-8,11H2,1-4H3
InChIKeyIYFHBUGACGWJIH-UHFFFAOYSA-N
XLogP4.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 54.75
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-[(3,5-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 102637234
2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,2-diamine
CID 102639798
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
4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]cyclohexan-1-ol
CID 115149528
N-methyl-N-[(2,4,6-trimethylphenyl)methyl]piperidin-4-amine
CID 55085534
2-bromo-N-[(3,4-dimethoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 102637367
2-bromo-N-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine
CID 102637268
N-(2-bromocyclohexyl)-N,2,5-trimethylbenzenesulfonamide
CID 102638654
N-methyl-1-propan-2-yl-N-[(2,4,6-trimethylphenyl)methyl]piperidin-4-amine
CID 86879133
2-bromo-N-methyl-N-(quinolin-2-ylmethyl)cyclohexan-1-amine
CID 102637233
2-bromo-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 102637295

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-bromo-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine (CID 102637218) is 2-bromo-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-bromo-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-bromo-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine is Cc1cc(C)c(CN(C)C2CCCCC2Br)c(C)c1.
What is the InChIKey of 2-bromo-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is IYFHBUGACGWJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN/c1-12-9-13(2)15(14(3)10-12)11-19(4)17-8-6-5-7-16(17)18/h9-10,16-17H,5-8,11H2,1-4H3.
What are the key properties of 2-bromo-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine?
2-bromo-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 324.31 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 102637218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).