1-(4-bromo-2-methylphenyl)-1-cyclohexyl-N-methylmethanamine

C15H22BrN — CID 114980955

IUPAC1-(4-bromo-2-methylphenyl)-1-cyclohexyl-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1C)C1CCCCC1
InChIInChI=1S/C15H22BrN/c1-11-10-13(16)8-9-14(11)15(17-2)12-6-4-3-5-7-12/h8-10,12,15,17H,3-7H2,1-2H3
InChIKeyKOKYUZWUYMXSBM-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.60
Rot. Bonds3

About 1-(4-bromo-2-methylphenyl)-1-cyclohexyl-N-methylmethanamine

1-(4-bromo-2-methylphenyl)-1-cyclohexyl-N-methylmethanamine (PubChem CID 114980955) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-1-cyclohexyl-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-1-cyclohexyl-N-methylmethanamine
PubChem CID114980955
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name1-(4-bromo-2-methylphenyl)-1-cyclohexyl-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1C)C1CCCCC1
InChIInChI=1S/C15H22BrN/c1-11-10-13(16)8-9-14(11)15(17-2)12-6-4-3-5-7-12/h8-10,12,15,17H,3-7H2,1-2H3
InChIKeyKOKYUZWUYMXSBM-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 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 ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-methylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 104991936
1-[4-bromo-2-(trifluoromethyl)phenyl]-1-cycloheptyl-N-methylmethanamine
CID 82932687
1-cycloheptyl-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 55091680
1-cyclohexyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753668
1-(4-bromo-3-methylphenyl)-1-cycloheptyl-N-methylmethanamine
CID 105027806
1-(2-bromo-4-fluorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 105027896
1-(3-bromo-2-methylphenyl)-1-cyclohexyl-N-methylmethanamine
CID 114980961
1-(2-bromo-4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 107991787
1-(4-bromo-2-methylphenyl)-2-cyclopentylethanamine
CID 115847235
1-(5-bromo-2-methoxy-4-methylphenyl)-1-cyclooctyl-N-methylmethanamine
CID 65433147
4-bromo-N-(1-cyclopentylethyl)-2-methylaniline
CID 63418980
1-cycloheptyl-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 82932611

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-1-cyclohexyl-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-1-cyclohexyl-N-methylmethanamine (CID 114980955) is 1-(4-bromo-2-methylphenyl)-1-cyclohexyl-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-1-cyclohexyl-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-1-cyclohexyl-N-methylmethanamine is CNC(c1ccc(Br)cc1C)C1CCCCC1.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-1-cyclohexyl-N-methylmethanamine?
The InChIKey is KOKYUZWUYMXSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-11-10-13(16)8-9-14(11)15(17-2)12-6-4-3-5-7-12/h8-10,12,15,17H,3-7H2,1-2H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-1-cyclohexyl-N-methylmethanamine?
1-(4-bromo-2-methylphenyl)-1-cyclohexyl-N-methylmethanamine has a molecular weight of 296.25 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-1-cyclohexyl-N-methylmethanamine is sourced from PubChem (CID 114980955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).