[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methanamine

C15H22BrN — CID 81009868

IUPAC[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)C(Cc2cccc(Br)c2)C1
InChIInChI=1S/C15H22BrN/c1-11-5-6-13(10-17)14(7-11)8-12-3-2-4-15(16)9-12/h2-4,9,11,13-14H,5-8,10,17H2,1H3
InChIKeyMEOMDKAEDRFXMA-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.00
Rot. Bonds3

About [2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methanamine

[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methanamine (PubChem CID 81009868) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is [2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methanamine
PubChem CID81009868
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)C(Cc2cccc(Br)c2)C1
InChIInChI=1S/C15H22BrN/c1-11-5-6-13(10-17)14(7-11)8-12-3-2-4-15(16)9-12/h2-4,9,11,13-14H,5-8,10,17H2,1H3
InChIKeyMEOMDKAEDRFXMA-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-methyl-2-[(3-methylphenyl)methyl]cyclohexyl]methanamine
CID 81010967
[2-[(3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81010735
N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81035109
N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine
CID 81031502
[2-[(3-bromo-5-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81009547
[2-[(3,4-dimethylphenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81010415
1-bromo-3-[(3-chloro-2-methylcyclopentyl)methyl]benzene
CID 64910118
[2-[(3-chlorophenyl)methyl]-4-propylcyclohexyl]methanamine
CID 81011460
[2-[(3-fluorophenyl)methyl]-4-propylcyclohexyl]methanamine
CID 81012992
[2-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81009861
3-[(3-bromophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 64907274
3-[(3-bromophenyl)methyl]-2-methylcyclopentan-1-one
CID 64910250

Frequently Asked Questions

What is the IUPAC name of [2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methanamine?
The IUPAC name of [2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methanamine (CID 81009868) is [2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methanamine?
The canonical SMILES for [2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methanamine is CC1CCC(CN)C(Cc2cccc(Br)c2)C1.
What is the InChIKey of [2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methanamine?
The InChIKey is MEOMDKAEDRFXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-11-5-6-13(10-17)14(7-11)8-12-3-2-4-15(16)9-12/h2-4,9,11,13-14H,5-8,10,17H2,1H3.
What are the key properties of [2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methanamine?
[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methanamine has a molecular weight of 296.25 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 81009868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).