[1-(2-bromo-5-methylphenyl)cyclohexyl]methanamine

C14H20BrN — CID 117453314

IUPAC[1-(2-bromo-5-methylphenyl)cyclohexyl]methanamine
SMILESCc1ccc(Br)c(C2(CN)CCCCC2)c1
InChIInChI=1S/C14H20BrN/c1-11-5-6-13(15)12(9-11)14(10-16)7-3-2-4-8-14/h5-6,9H,2-4,7-8,10,16H2,1H3
InChIKeyNADCOOFUPPKTIV-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.92
Rot. Bonds2

About [1-(2-bromo-5-methylphenyl)cyclohexyl]methanamine

[1-(2-bromo-5-methylphenyl)cyclohexyl]methanamine (PubChem CID 117453314) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is [1-(2-bromo-5-methylphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-bromo-5-methylphenyl)cyclohexyl]methanamine
PubChem CID117453314
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name[1-(2-bromo-5-methylphenyl)cyclohexyl]methanamine
SMILESCc1ccc(Br)c(C2(CN)CCCCC2)c1
InChIInChI=1S/C14H20BrN/c1-11-5-6-13(15)12(9-11)14(10-16)7-3-2-4-8-14/h5-6,9H,2-4,7-8,10,16H2,1H3
InChIKeyNADCOOFUPPKTIV-UHFFFAOYSA-N
XLogP3.92
TPSA26.02 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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-4-methylphenol
CID 82615959
[1-(2,5-dimethylphenyl)cyclopentyl]methanamine
CID 82491829
[1-(2-bromophenyl)cycloheptyl]methanamine
CID 62829513
[1-(2-ethoxy-5-methylphenyl)cyclohexyl]methanamine
CID 117371857
[1-(2-fluoro-5-methylphenyl)cyclobutyl]methanamine
CID 117284015
[1-(4-bromo-2,5-dimethylphenyl)cyclopentyl]methanamine
CID 84812408
2-[1-(aminomethyl)cyclobutyl]-5-methylphenol
CID 82604285
2-[1-(aminomethyl)cyclohexyl]-3-bromo-6-methylphenol
CID 117480430
[1-(6-methyl-1H-indol-3-yl)cyclopentyl]methanamine
CID 82494852
[1-(7-methylnaphthalen-1-yl)cyclobutyl]methanamine
CID 105483290
[1-(2-bromo-4,5-difluorophenyl)cyclobutyl]methanamine
CID 117441687
[1-(2-bromo-3-fluoro-4-methylphenyl)cyclopentyl]methanamine
CID 117461259

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-5-methylphenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(2-bromo-5-methylphenyl)cyclohexyl]methanamine (CID 117453314) is [1-(2-bromo-5-methylphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(2-bromo-5-methylphenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(2-bromo-5-methylphenyl)cyclohexyl]methanamine is Cc1ccc(Br)c(C2(CN)CCCCC2)c1.
What is the InChIKey of [1-(2-bromo-5-methylphenyl)cyclohexyl]methanamine?
The InChIKey is NADCOOFUPPKTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-11-5-6-13(15)12(9-11)14(10-16)7-3-2-4-8-14/h5-6,9H,2-4,7-8,10,16H2,1H3.
What are the key properties of [1-(2-bromo-5-methylphenyl)cyclohexyl]methanamine?
[1-(2-bromo-5-methylphenyl)cyclohexyl]methanamine has a molecular weight of 282.22 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-5-methylphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 117453314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).