(4-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine

C15H22BrN — CID 104987996

IUPAC(4-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine
SMILESCc1cc(Br)ccc1C(N)C1CCC(C)CC1
InChIInChI=1S/C15H22BrN/c1-10-3-5-12(6-4-10)15(17)14-8-7-13(16)9-11(14)2/h7-10,12,15H,3-6,17H2,1-2H3
InChIKeyWUFZTRVCGVSGMK-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.58
Rot. Bonds2

About (4-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine

(4-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine (PubChem CID 104987996) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine
PubChem CID104987996
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name(4-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine
SMILESCc1cc(Br)ccc1C(N)C1CCC(C)CC1
InChIInChI=1S/C15H22BrN/c1-10-3-5-12(6-4-10)15(17)14-8-7-13(16)9-11(14)2/h7-10,12,15H,3-6,17H2,1-2H3
InChIKeyWUFZTRVCGVSGMK-UHFFFAOYSA-N
XLogP4.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine
CID 104988213
(4-bromo-2-methylphenyl)-(oxan-3-yl)methanamine
CID 107136978
4-[amino-(5-bromo-2-methylphenyl)methyl]cyclohexan-1-amine
CID 116937185
(S)-(4-bromo-2-chlorophenyl)-cyclopropylmethanamine
CID 130618338
(R)-(4-bromo-2-fluorophenyl)-cyclopropylmethanamine
CID 130968166
(R)-(5-bromo-2-methylphenyl)-cyclopentylmethanamine;hydrochloride
CID 171203860
(3,4-dimethylphenyl)-(4-methylcyclohexyl)methanamine
CID 62549202
1-(4-bromo-2-methylphenyl)-2-cyclopentylethanamine
CID 115847235
(2-bromo-3,4-difluorophenyl)-(4-methylcyclohexyl)methanamine
CID 107538638
(R)-cyclobutyl-(2,4-dimethylphenyl)methanamine;hydrochloride
CID 171213154
(5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 155487191
(S)-(4-chloro-2-methylphenyl)-cyclopentylmethanamine
CID 131595762

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine?
The IUPAC name of (4-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine (CID 104987996) is (4-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine.
What is the SMILES notation for (4-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine?
The canonical SMILES for (4-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine is Cc1cc(Br)ccc1C(N)C1CCC(C)CC1.
What is the InChIKey of (4-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine?
The InChIKey is WUFZTRVCGVSGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-10-3-5-12(6-4-10)15(17)14-8-7-13(16)9-11(14)2/h7-10,12,15H,3-6,17H2,1-2H3.
What are the key properties of (4-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine?
(4-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine has a molecular weight of 296.25 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine is sourced from PubChem (CID 104987996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).