2-bromo-N-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine

C18H22BrN — CID 102637268

IUPAC2-bromo-N-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine
SMILESCN(Cc1cccc2ccccc12)C1CCCCC1Br
InChIInChI=1S/C18H22BrN/c1-20(18-12-5-4-11-17(18)19)13-15-9-6-8-14-7-2-3-10-16(14)15/h2-3,6-10,17-18H,4-5,11-13H2,1H3
InChIKeyIPHQNGZKFJFKOJ-UHFFFAOYSA-N
MW332.28 g/mol
LogP4.98
Rot. Bonds3

About 2-bromo-N-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine

2-bromo-N-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine (PubChem CID 102637268) has the molecular formula C18H22BrN and a molecular weight of 332.28 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-bromo-N-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine
PubChem CID102637268
Molecular FormulaC18H22BrN
Molecular Weight332.28 g/mol
Exact Mass331.09
IUPAC Name2-bromo-N-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine
SMILESCN(Cc1cccc2ccccc12)C1CCCCC1Br
InChIInChI=1S/C18H22BrN/c1-20(18-12-5-4-11-17(18)19)13-15-9-6-8-14-7-2-3-10-16(14)15/h2-3,6-10,17-18H,4-5,11-13H2,1H3
InChIKeyIPHQNGZKFJFKOJ-UHFFFAOYSA-N
XLogP4.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 54.98
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-(quinolin-2-ylmethyl)cyclohexan-1-amine
CID 102637233
2-bromo-N-[(2,6-difluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 102637204
2-bromo-N-[(3,5-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 102637234
N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methyl-2-naphthalen-1-ylacetamide
CID 70604955
2-bromo-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine
CID 102637218
N-methyl-N-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 134791752
N-methanidyl-N-methyl-1-naphthalen-1-ylmethanamine
CID 20723537
2-bromo-N-methyl-N-(4-phenylbutyl)cyclohexan-1-amine
CID 102637342
2-cyclohexyl-5-[methyl(naphthalen-1-ylmethyl)amino]pent-3-yn-2-ol
CID 19887936
N-cyclopropyl-N'-methyl-N'-(naphthalen-1-ylmethyl)ethane-1,2-diamine
CID 55002950
N-(3-bromopropyl)-N-(naphthalen-1-ylmethyl)cyclobutanamine
CID 102860169
N-methyl-N-(naphthalen-1-ylmethyl)carbamoyl bromide
CID 115193849

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2-bromo-N-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine (CID 102637268) is 2-bromo-N-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-bromo-N-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2-bromo-N-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine is CN(Cc1cccc2ccccc12)C1CCCCC1Br.
What is the InChIKey of 2-bromo-N-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine?
The InChIKey is IPHQNGZKFJFKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN/c1-20(18-12-5-4-11-17(18)19)13-15-9-6-8-14-7-2-3-10-16(14)15/h2-3,6-10,17-18H,4-5,11-13H2,1H3.
What are the key properties of 2-bromo-N-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine?
2-bromo-N-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine has a molecular weight of 332.28 g/mol, XLogP of 4.98, 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-(naphthalen-1-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 102637268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).