2-(4-bromophenyl)-N-methylcycloheptan-1-amine

C14H20BrN — CID 82249332

IUPAC2-(4-bromophenyl)-N-methylcycloheptan-1-amine
SMILESCNC1CCCCCC1c1ccc(Br)cc1
InChIInChI=1S/C14H20BrN/c1-16-14-6-4-2-3-5-13(14)11-7-9-12(15)10-8-11/h7-10,13-14,16H,2-6H2,1H3
InChIKeyARANEKVRVJAVCO-UHFFFAOYSA-N
MW282.22 g/mol
LogP4.08
Rot. Bonds2

About 2-(4-bromophenyl)-N-methylcycloheptan-1-amine

2-(4-bromophenyl)-N-methylcycloheptan-1-amine (PubChem CID 82249332) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-methylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-methylcycloheptan-1-amine
PubChem CID82249332
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name2-(4-bromophenyl)-N-methylcycloheptan-1-amine
SMILESCNC1CCCCCC1c1ccc(Br)cc1
InChIInChI=1S/C14H20BrN/c1-16-14-6-4-2-3-5-13(14)11-7-9-12(15)10-8-11/h7-10,13-14,16H,2-6H2,1H3
InChIKeyARANEKVRVJAVCO-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1S,2S)-N-methyl-2-(4-methylphenyl)cyclopentan-1-amine
CID 94869351
N-[2-(4-bromophenyl)cyclohexyl]-4-methoxyaniline
CID 135074114
2-(3,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine
CID 62801123
2-(4-fluoro-3-methylphenyl)-N-methylcycloheptan-1-amine
CID 62801613
N-methyl-2-(4-propoxyphenyl)cyclohexan-1-amine
CID 55120346
4-bromo-N-(2-phenylcyclohexyl)aniline
CID 43762754
1-bromo-4-(2-fluorocyclopentyl)benzene
CID 115044900
2-(3-cyclobutylphenyl)-N-methylcyclohexan-1-amine
CID 114605834
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclohexan-1-amine
CID 62801780
2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclohexan-1-amine
CID 107290013
(1R)-2-(4-bromophenyl)cyclopentan-1-ol
CID 142068486
N-methyl-2-(5-methyl-3-pyridinyl)cycloheptan-1-amine
CID 115375197

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-methylcycloheptan-1-amine?
The IUPAC name of 2-(4-bromophenyl)-N-methylcycloheptan-1-amine (CID 82249332) is 2-(4-bromophenyl)-N-methylcycloheptan-1-amine.
What is the SMILES notation for 2-(4-bromophenyl)-N-methylcycloheptan-1-amine?
The canonical SMILES for 2-(4-bromophenyl)-N-methylcycloheptan-1-amine is CNC1CCCCCC1c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-methylcycloheptan-1-amine?
The InChIKey is ARANEKVRVJAVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-16-14-6-4-2-3-5-13(14)11-7-9-12(15)10-8-11/h7-10,13-14,16H,2-6H2,1H3.
What are the key properties of 2-(4-bromophenyl)-N-methylcycloheptan-1-amine?
2-(4-bromophenyl)-N-methylcycloheptan-1-amine has a molecular weight of 282.22 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-methylcycloheptan-1-amine is sourced from PubChem (CID 82249332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).