1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,3,5-trimethylcyclohexan-1-amine

C17H27BrN2 — CID 64752250

IUPAC1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,3,5-trimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(CN)(N(C)Cc2ccccc2Br)C1
InChIInChI=1S/C17H27BrN2/c1-13-8-14(2)10-17(9-13,12-19)20(3)11-15-6-4-5-7-16(15)18/h4-7,13-14H,8-12,19H2,1-3H3
InChIKeyXSNISHXASCOFKU-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.03
Rot. Bonds4

About 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,3,5-trimethylcyclohexan-1-amine

1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,3,5-trimethylcyclohexan-1-amine (PubChem CID 64752250) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,3,5-trimethylcyclohexan-1-amine
PubChem CID64752250
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC Name1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,3,5-trimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(CN)(N(C)Cc2ccccc2Br)C1
InChIInChI=1S/C17H27BrN2/c1-13-8-14(2)10-17(9-13,12-19)20(3)11-15-6-4-5-7-16(15)18/h4-7,13-14H,8-12,19H2,1-3H3
InChIKeyXSNISHXASCOFKU-UHFFFAOYSA-N
XLogP4.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-[(2-bromophenyl)methyl]-3-cyclopropyl-N-methylcyclohexan-1-amine
CID 64624223
1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylcyclobutan-1-amine
CID 103562687
1-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 64501771
1-[(2-bromophenyl)methyl]-1-methylhydrazine;hydrochloride
CID 3028721
1-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylcyclobutan-1-amine
CID 103562677
1-(aminomethyl)-N,4-dimethyl-N-[(2-methylphenyl)methyl]cycloheptan-1-amine
CID 65084666
1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3,5-trimethylcyclohexan-1-amine
CID 105413969
[1-[(2-bromophenyl)methyl]-3-methylcyclohexyl]methanamine
CID 65394458
1-(aminomethyl)-N-benzyl-N,3-dimethylcyclohexan-1-amine
CID 43176319
N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-2-bromoaniline
CID 65383001
N-[(2-bromophenyl)methyl]-1,1,1-trideuterio-N-(trideuteriomethyl)methanamine
CID 155291918
N-[(2-bromophenyl)methyl]-N-methylhydroxylamine
CID 82613877

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,3,5-trimethylcyclohexan-1-amine (CID 64752250) is 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,3,5-trimethylcyclohexan-1-amine is CC1CC(C)CC(CN)(N(C)Cc2ccccc2Br)C1.
What is the InChIKey of 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,3,5-trimethylcyclohexan-1-amine?
The InChIKey is XSNISHXASCOFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-13-8-14(2)10-17(9-13,12-19)20(3)11-15-6-4-5-7-16(15)18/h4-7,13-14H,8-12,19H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,3,5-trimethylcyclohexan-1-amine?
1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,3,5-trimethylcyclohexan-1-amine has a molecular weight of 339.32 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 64752250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).