(2-bromo-4-methylphenyl)-cyclohexylmethanamine

C14H20BrN — CID 114981605

IUPAC(2-bromo-4-methylphenyl)-cyclohexylmethanamine
SMILESCc1ccc(C(N)C2CCCCC2)c(Br)c1
InChIInChI=1S/C14H20BrN/c1-10-7-8-12(13(15)9-10)14(16)11-5-3-2-4-6-11/h7-9,11,14H,2-6,16H2,1H3
InChIKeyCPBMXGHRYZNVNA-UHFFFAOYSA-N
MW282.23 g/mol
LogP4.34
Rot. Bonds2

About (2-bromo-4-methylphenyl)-cyclohexylmethanamine

(2-bromo-4-methylphenyl)-cyclohexylmethanamine (PubChem CID 114981605) has the molecular formula C14H20BrN and a molecular weight of 282.23 g/mol. Its IUPAC name is (2-bromo-4-methylphenyl)-cyclohexylmethanamine.

Molecular Properties

Compound Name(2-bromo-4-methylphenyl)-cyclohexylmethanamine
PubChem CID114981605
Molecular FormulaC14H20BrN
Molecular Weight282.23 g/mol
Exact Mass281.08
IUPAC Name(2-bromo-4-methylphenyl)-cyclohexylmethanamine
SMILESCc1ccc(C(N)C2CCCCC2)c(Br)c1
InChIInChI=1S/C14H20BrN/c1-10-7-8-12(13(15)9-10)14(16)11-5-3-2-4-6-11/h7-9,11,14H,2-6,16H2,1H3
InChIKeyCPBMXGHRYZNVNA-UHFFFAOYSA-N
XLogP4.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-(2-bromo-4-methylphenyl)-cyclopentylmethanamine
CID 171221683
(1S,2R)-2-amino-2-(2-bromo-4-methylphenyl)-1-cyclohexylethanol;hydrochloride
CID 171261695
(2-bromo-4-methylphenyl)-cycloheptylmethanol
CID 82928098
cyclohexyl-(2-fluoro-4-methylphenyl)methanamine
CID 114981199
(2-chloro-4-methylphenyl)-cycloheptylmethanamine
CID 106858433
(S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine
CID 131545963
(S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine;hydrochloride
CID 171221506
(2-bromo-4-chlorophenyl)-cyclobutylmethanamine
CID 103947074
(R)-cyclobutyl-(2,4-dimethylphenyl)methanamine;hydrochloride
CID 171213154
(2-bromo-4-methylphenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105016287
(S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine
CID 99737681
2-[(R)-amino(cyclobutyl)methyl]-5-methylphenol
CID 130606689

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methylphenyl)-cyclohexylmethanamine?
The IUPAC name of (2-bromo-4-methylphenyl)-cyclohexylmethanamine (CID 114981605) is (2-bromo-4-methylphenyl)-cyclohexylmethanamine.
What is the SMILES notation for (2-bromo-4-methylphenyl)-cyclohexylmethanamine?
The canonical SMILES for (2-bromo-4-methylphenyl)-cyclohexylmethanamine is Cc1ccc(C(N)C2CCCCC2)c(Br)c1.
What is the InChIKey of (2-bromo-4-methylphenyl)-cyclohexylmethanamine?
The InChIKey is CPBMXGHRYZNVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-10-7-8-12(13(15)9-10)14(16)11-5-3-2-4-6-11/h7-9,11,14H,2-6,16H2,1H3.
What are the key properties of (2-bromo-4-methylphenyl)-cyclohexylmethanamine?
(2-bromo-4-methylphenyl)-cyclohexylmethanamine has a molecular weight of 282.23 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methylphenyl)-cyclohexylmethanamine is sourced from PubChem (CID 114981605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).