1-(5-bromo-2-methylphenyl)-2-cyclohexylethanamine

C15H22BrN — CID 115842257

IUPAC1-(5-bromo-2-methylphenyl)-2-cyclohexylethanamine
SMILESCc1ccc(Br)cc1C(N)CC1CCCCC1
InChIInChI=1S/C15H22BrN/c1-11-7-8-13(16)10-14(11)15(17)9-12-5-3-2-4-6-12/h7-8,10,12,15H,2-6,9,17H2,1H3
InChIKeyDGVDUSBUKYLPCM-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.73
Rot. Bonds3

About 1-(5-bromo-2-methylphenyl)-2-cyclohexylethanamine

1-(5-bromo-2-methylphenyl)-2-cyclohexylethanamine (PubChem CID 115842257) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-2-cyclohexylethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-2-cyclohexylethanamine
PubChem CID115842257
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name1-(5-bromo-2-methylphenyl)-2-cyclohexylethanamine
SMILESCc1ccc(Br)cc1C(N)CC1CCCCC1
InChIInChI=1S/C15H22BrN/c1-11-7-8-13(16)10-14(11)15(17)9-12-5-3-2-4-6-12/h7-8,10,12,15H,2-6,9,17H2,1H3
InChIKeyDGVDUSBUKYLPCM-UHFFFAOYSA-N
XLogP4.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(5-bromo-2-methylphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171223427
1-(4-bromo-2-methylphenyl)-2-cyclopentylethanamine
CID 115847235
2-cyclohexyl-1-(2,5-dibromo-4-methylphenyl)ethanamine
CID 81473835
(R)-(5-bromo-2-methylphenyl)-cyclopentylmethanamine;hydrochloride
CID 171203860
2-cyclohexyl-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 107515963
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine
CID 96840213
1-(5-bromo-2-methylphenyl)-2-cyclopropylethanol
CID 115803918
2-cyclopentyl-1-(2,4-dimethylphenyl)ethanamine
CID 43825536
4-[amino-(5-bromo-2-methylphenyl)methyl]cyclohexan-1-amine
CID 116937185
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine;hydrochloride
CID 171203844
1-(4-bromo-2-methylphenyl)-2-cyclopentylethanol
CID 115789681
1-(5-bromo-2-methylphenyl)ethanamine
CID 82647898

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-2-cyclohexylethanamine?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-2-cyclohexylethanamine (CID 115842257) is 1-(5-bromo-2-methylphenyl)-2-cyclohexylethanamine.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-2-cyclohexylethanamine?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-2-cyclohexylethanamine is Cc1ccc(Br)cc1C(N)CC1CCCCC1.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-2-cyclohexylethanamine?
The InChIKey is DGVDUSBUKYLPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-11-7-8-13(16)10-14(11)15(17)9-12-5-3-2-4-6-12/h7-8,10,12,15H,2-6,9,17H2,1H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-2-cyclohexylethanamine?
1-(5-bromo-2-methylphenyl)-2-cyclohexylethanamine has a molecular weight of 296.25 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-2-cyclohexylethanamine is sourced from PubChem (CID 115842257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).