1-[(3-bromophenyl)methyl]-4-methylcyclohexan-1-amine

C14H20BrN — CID 60799051

IUPAC1-[(3-bromophenyl)methyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(Cc2cccc(Br)c2)CC1
InChIInChI=1S/C14H20BrN/c1-11-5-7-14(16,8-6-11)10-12-3-2-4-13(15)9-12/h2-4,9,11H,5-8,10,16H2,1H3
InChIKeyWMGBIEGAODOSDH-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.90
Rot. Bonds2

About 1-[(3-bromophenyl)methyl]-4-methylcyclohexan-1-amine

1-[(3-bromophenyl)methyl]-4-methylcyclohexan-1-amine (PubChem CID 60799051) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-4-methylcyclohexan-1-amine
PubChem CID60799051
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name1-[(3-bromophenyl)methyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(Cc2cccc(Br)c2)CC1
InChIInChI=1S/C14H20BrN/c1-11-5-7-14(16,8-6-11)10-12-3-2-4-13(15)9-12/h2-4,9,11H,5-8,10,16H2,1H3
InChIKeyWMGBIEGAODOSDH-UHFFFAOYSA-N
XLogP3.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-bromophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 64776203
1-[(5-bromo-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 62595059
4-methyl-1-[(3-nitrophenyl)methyl]cyclohexan-1-amine
CID 65419636
(3-bromophenyl)methyl 1-amino-4-methylcyclohexane-1-carboxylate
CID 82824551
3,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64733945
1-[(3-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65079897
1-bromo-3-[[1-(iodomethyl)-4-methylcyclohexyl]oxymethyl]benzene
CID 114774884
1-bromo-3-[(1-propylcyclopropyl)methyl]benzene
CID 143267542
2-(3-bromophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754566
4-methyl-1-(naphthalen-1-ylmethyl)cyclohexan-1-amine
CID 63407888
6-[(3-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-ol
CID 79331771
1-[(2-bromophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65080509

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-4-methylcyclohexan-1-amine?
The IUPAC name of 1-[(3-bromophenyl)methyl]-4-methylcyclohexan-1-amine (CID 60799051) is 1-[(3-bromophenyl)methyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-4-methylcyclohexan-1-amine is CC1CCC(N)(Cc2cccc(Br)c2)CC1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-4-methylcyclohexan-1-amine?
The InChIKey is WMGBIEGAODOSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-11-5-7-14(16,8-6-11)10-12-3-2-4-13(15)9-12/h2-4,9,11H,5-8,10,16H2,1H3.
What are the key properties of 1-[(3-bromophenyl)methyl]-4-methylcyclohexan-1-amine?
1-[(3-bromophenyl)methyl]-4-methylcyclohexan-1-amine has a molecular weight of 282.22 g/mol, XLogP of 3.90, 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]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 60799051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).