1-[(4-bromophenyl)methyl]-2,5-dimethylcyclohexan-1-amine

C15H22BrN — CID 64774368

IUPAC1-[(4-bromophenyl)methyl]-2,5-dimethylcyclohexan-1-amine
SMILESCC1CCC(C)C(N)(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C15H22BrN/c1-11-3-4-12(2)15(17,9-11)10-13-5-7-14(16)8-6-13/h5-8,11-12H,3-4,9-10,17H2,1-2H3
InChIKeyPRCYKXRTVVFCQB-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.15
Rot. Bonds2

About 1-[(4-bromophenyl)methyl]-2,5-dimethylcyclohexan-1-amine

1-[(4-bromophenyl)methyl]-2,5-dimethylcyclohexan-1-amine (PubChem CID 64774368) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-2,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-2,5-dimethylcyclohexan-1-amine
PubChem CID64774368
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name1-[(4-bromophenyl)methyl]-2,5-dimethylcyclohexan-1-amine
SMILESCC1CCC(C)C(N)(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C15H22BrN/c1-11-3-4-12(2)15(17,9-11)10-13-5-7-14(16)8-6-13/h5-8,11-12H,3-4,9-10,17H2,1-2H3
InChIKeyPRCYKXRTVVFCQB-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3,4-dimethylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 64763177
1-[(3,5-dimethylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 64776822
1-[(5-bromothiophen-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 64760587
1-[(2-chloro-4-methylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 106866820
1-[(4-bromophenyl)methyl]-4-methylcyclohexan-1-ol
CID 60798328
2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79744639
1-methyl-4-[(1,2,5-trimethylcyclohexyl)methyl]benzene
CID 162287885
1-[(4-bromophenyl)methyl]-3-methylcyclohexane-1-carboxylic acid
CID 65392622
1-[(4-bromophenyl)methyl]-4-butylcyclohexan-1-amine
CID 65020237
2,5-dimethyl-1-(2-methylpropyl)cyclohexan-1-amine
CID 64760776
1-[(4-chlorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 64516003
1-[(4-bromophenyl)methyl]cyclopentan-1-amine
CID 60798345

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-2,5-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[(4-bromophenyl)methyl]-2,5-dimethylcyclohexan-1-amine (CID 64774368) is 1-[(4-bromophenyl)methyl]-2,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-2,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-2,5-dimethylcyclohexan-1-amine is CC1CCC(C)C(N)(Cc2ccc(Br)cc2)C1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-2,5-dimethylcyclohexan-1-amine?
The InChIKey is PRCYKXRTVVFCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-11-3-4-12(2)15(17,9-11)10-13-5-7-14(16)8-6-13/h5-8,11-12H,3-4,9-10,17H2,1-2H3.
What are the key properties of 1-[(4-bromophenyl)methyl]-2,5-dimethylcyclohexan-1-amine?
1-[(4-bromophenyl)methyl]-2,5-dimethylcyclohexan-1-amine has a molecular weight of 296.25 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-2,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64774368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).