1-[(3-bromophenyl)methyl]-2,4-dimethylcyclohexan-1-amine

C15H22BrN — CID 64776203

IUPAC1-[(3-bromophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N)(Cc2cccc(Br)c2)C(C)C1
InChIInChI=1S/C15H22BrN/c1-11-6-7-15(17,12(2)8-11)10-13-4-3-5-14(16)9-13/h3-5,9,11-12H,6-8,10,17H2,1-2H3
InChIKeyNRQBUCVANMPEKX-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.15
Rot. Bonds2

About 1-[(3-bromophenyl)methyl]-2,4-dimethylcyclohexan-1-amine

1-[(3-bromophenyl)methyl]-2,4-dimethylcyclohexan-1-amine (PubChem CID 64776203) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
PubChem CID64776203
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name1-[(3-bromophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N)(Cc2cccc(Br)c2)C(C)C1
InChIInChI=1S/C15H22BrN/c1-11-6-7-15(17,12(2)8-11)10-13-4-3-5-14(16)9-13/h3-5,9,11-12H,6-8,10,17H2,1-2H3
InChIKeyNRQBUCVANMPEKX-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-bromophenyl)methyl]-4-methylcyclohexan-1-amine
CID 60799051
1-[(3,5-dimethylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 64776189
(3-bromophenyl)methyl 1-amino-4-methylcyclohexane-1-carboxylate
CID 82824551
1-bromo-3-[(1-propylcyclopropyl)methyl]benzene
CID 143267542
1-[(5-ethyl-2-pyridinyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 79746172
[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81009868
6-[(3-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-ol
CID 79331771
1-[(5-bromo-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 62595059
1-bromo-3-[[1-(iodomethyl)-4-methylcyclohexyl]oxymethyl]benzene
CID 114774884
1-(3-bromoanilino)-2,4-dimethylcyclohexane-1-carbonitrile
CID 64753909
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(3-bromophenyl)ethanone
CID 103441123
1-[(3-bromophenyl)methyl]-4-tert-butylcycloheptan-1-ol
CID 65094519

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[(3-bromophenyl)methyl]-2,4-dimethylcyclohexan-1-amine (CID 64776203) is 1-[(3-bromophenyl)methyl]-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-2,4-dimethylcyclohexan-1-amine is CC1CCC(N)(Cc2cccc(Br)c2)C(C)C1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
The InChIKey is NRQBUCVANMPEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-11-6-7-15(17,12(2)8-11)10-13-4-3-5-14(16)9-13/h3-5,9,11-12H,6-8,10,17H2,1-2H3.
What are the key properties of 1-[(3-bromophenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
1-[(3-bromophenyl)methyl]-2,4-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-[(3-bromophenyl)methyl]-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64776203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).