N-[(4-bromo-3-chlorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine

C15H21BrClN — CID 114076532

IUPACN-[(4-bromo-3-chlorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine
SMILESCC1CCC(CNCc2ccc(Br)c(Cl)c2)CC1
InChIInChI=1S/C15H21BrClN/c1-11-2-4-12(5-3-11)9-18-10-13-6-7-14(16)15(17)8-13/h6-8,11-12,18H,2-5,9-10H2,1H3
InChIKeyCUJNAODCKNXCLX-UHFFFAOYSA-N
MW330.70 g/mol
LogP5.02
Rot. Bonds4

About N-[(4-bromo-3-chlorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine

N-[(4-bromo-3-chlorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine (PubChem CID 114076532) has the molecular formula C15H21BrClN and a molecular weight of 330.70 g/mol. Its IUPAC name is N-[(4-bromo-3-chlorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine.

Molecular Properties

Compound NameN-[(4-bromo-3-chlorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine
PubChem CID114076532
Molecular FormulaC15H21BrClN
Molecular Weight330.70 g/mol
Exact Mass329.05
IUPAC NameN-[(4-bromo-3-chlorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine
SMILESCC1CCC(CNCc2ccc(Br)c(Cl)c2)CC1
InChIInChI=1S/C15H21BrClN/c1-11-2-4-12(5-3-11)9-18-10-13-6-7-14(16)15(17)8-13/h6-8,11-12,18H,2-5,9-10H2,1H3
InChIKeyCUJNAODCKNXCLX-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.70
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 81436280
N-[(4-bromo-3-chlorophenyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107302810
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 63463735
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 63464064
N-[(4-bromo-3-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine
CID 103581710
N-[(4-chloro-3-nitrophenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 78971596
N-[(4-chloro-3-fluorophenyl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411830
N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 106816651
N-[(4-bromo-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 66472811
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411813
N-[(4-bromo-3-chlorophenyl)methyl]propan-1-amine;fluoromethane
CID 142451886
N-[(3-chloro-4-methylphenyl)methyl]-1-cyclohexylmethanamine
CID 106816234

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-chlorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine?
The IUPAC name of N-[(4-bromo-3-chlorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine (CID 114076532) is N-[(4-bromo-3-chlorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine.
What is the SMILES notation for N-[(4-bromo-3-chlorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine?
The canonical SMILES for N-[(4-bromo-3-chlorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine is CC1CCC(CNCc2ccc(Br)c(Cl)c2)CC1.
What is the InChIKey of N-[(4-bromo-3-chlorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine?
The InChIKey is CUJNAODCKNXCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClN/c1-11-2-4-12(5-3-11)9-18-10-13-6-7-14(16)15(17)8-13/h6-8,11-12,18H,2-5,9-10H2,1H3.
What are the key properties of N-[(4-bromo-3-chlorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine?
N-[(4-bromo-3-chlorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine has a molecular weight of 330.70 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-chlorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine is sourced from PubChem (CID 114076532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).