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

C15H22BrN — CID 104988213

IUPAC(5-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine
SMILESCc1ccc(Br)cc1C(N)C1CCC(C)CC1
InChIInChI=1S/C15H22BrN/c1-10-3-6-12(7-4-10)15(17)14-9-13(16)8-5-11(14)2/h5,8-10,12,15H,3-4,6-7,17H2,1-2H3
InChIKeyYCEPUATVNURDHI-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.58
Rot. Bonds2

About (5-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine

(5-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine (PubChem CID 104988213) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is (5-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine
PubChem CID104988213
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name(5-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine
SMILESCc1ccc(Br)cc1C(N)C1CCC(C)CC1
InChIInChI=1S/C15H22BrN/c1-10-3-6-12(7-4-10)15(17)14-9-13(16)8-5-11(14)2/h5,8-10,12,15H,3-4,6-7,17H2,1-2H3
InChIKeyYCEPUATVNURDHI-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

4-[amino-(5-bromo-2-methylphenyl)methyl]cyclohexan-1-amine
CID 116937185
(4-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine
CID 104987996
(R)-(5-bromo-2-methylphenyl)-cyclopentylmethanamine;hydrochloride
CID 171203860
(3,4-dimethylphenyl)-(4-methylcyclohexyl)methanamine
CID 62549202
(5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 155487191
(1S)-1-(5-bromo-2-methylphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171223427
(R)-(4-bromo-2-fluorophenyl)-cyclopropylmethanamine
CID 130968166
(S)-(4-bromo-2-chlorophenyl)-cyclopropylmethanamine
CID 130618338
1-(5-bromo-2-methylphenyl)ethanamine
CID 82647898
[3-[(R)-amino(cyclopropyl)methyl]-4-methylphenyl]methanol
CID 130665283
(R)-(5-bromo-2-ethoxyphenyl)-cyclopropylmethanamine;hydrochloride
CID 171206516
1-(5-bromo-2-methylphenyl)-2-cyclohexylethanamine
CID 115842257

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine?
The IUPAC name of (5-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine (CID 104988213) is (5-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine.
What is the SMILES notation for (5-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine?
The canonical SMILES for (5-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine is Cc1ccc(Br)cc1C(N)C1CCC(C)CC1.
What is the InChIKey of (5-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine?
The InChIKey is YCEPUATVNURDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-10-3-6-12(7-4-10)15(17)14-9-13(16)8-5-11(14)2/h5,8-10,12,15H,3-4,6-7,17H2,1-2H3.
What are the key properties of (5-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine?
(5-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 (5-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine is sourced from PubChem (CID 104988213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).