1-(2-bromo-5-chlorophenyl)-N-[(1-methylcyclohexyl)methyl]methanamine

C15H21BrClN — CID 114094772

IUPAC1-(2-bromo-5-chlorophenyl)-N-[(1-methylcyclohexyl)methyl]methanamine
SMILESCC1(CNCc2cc(Cl)ccc2Br)CCCCC1
InChIInChI=1S/C15H21BrClN/c1-15(7-3-2-4-8-15)11-18-10-12-9-13(17)5-6-14(12)16/h5-6,9,18H,2-4,7-8,10-11H2,1H3
InChIKeyQRFNLEXMYDMSMU-UHFFFAOYSA-N
MW330.70 g/mol
LogP5.16
Rot. Bonds4

About 1-(2-bromo-5-chlorophenyl)-N-[(1-methylcyclohexyl)methyl]methanamine

1-(2-bromo-5-chlorophenyl)-N-[(1-methylcyclohexyl)methyl]methanamine (PubChem CID 114094772) has the molecular formula C15H21BrClN and a molecular weight of 330.70 g/mol. Its IUPAC name is 1-(2-bromo-5-chlorophenyl)-N-[(1-methylcyclohexyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-bromo-5-chlorophenyl)-N-[(1-methylcyclohexyl)methyl]methanamine
PubChem CID114094772
Molecular FormulaC15H21BrClN
Molecular Weight330.70 g/mol
Exact Mass329.05
IUPAC Name1-(2-bromo-5-chlorophenyl)-N-[(1-methylcyclohexyl)methyl]methanamine
SMILESCC1(CNCc2cc(Cl)ccc2Br)CCCCC1
InChIInChI=1S/C15H21BrClN/c1-15(7-3-2-4-8-15)11-18-10-12-9-13(17)5-6-14(12)16/h5-6,9,18H,2-4,7-8,10-11H2,1H3
InChIKeyQRFNLEXMYDMSMU-UHFFFAOYSA-N
XLogP5.16
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 ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735964
1-(5-chloro-2-nitrophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735815
1-(3-bromo-2,6-difluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 114165676
1-(3-bromo-2,6-difluorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 114165735
N-[(2-bromo-5-chlorophenyl)methyl]-4-methyloxan-4-amine
CID 115758053
2-bromo-5-chloro-N-[(1-methylcyclopentyl)methyl]benzamide
CID 86901481
1-(2,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 114094777
1-(2-chlorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride
CID 115680463
1-(2-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63822886
N-[(2-bromo-5-chlorophenyl)methyl]-3-fluoropropan-1-amine
CID 115732926
N-[(2-bromo-5-chlorophenyl)methyl]-2-methoxyethanamine
CID 66161623
1-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 60969780

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chlorophenyl)-N-[(1-methylcyclohexyl)methyl]methanamine?
The IUPAC name of 1-(2-bromo-5-chlorophenyl)-N-[(1-methylcyclohexyl)methyl]methanamine (CID 114094772) is 1-(2-bromo-5-chlorophenyl)-N-[(1-methylcyclohexyl)methyl]methanamine.
What is the SMILES notation for 1-(2-bromo-5-chlorophenyl)-N-[(1-methylcyclohexyl)methyl]methanamine?
The canonical SMILES for 1-(2-bromo-5-chlorophenyl)-N-[(1-methylcyclohexyl)methyl]methanamine is CC1(CNCc2cc(Cl)ccc2Br)CCCCC1.
What is the InChIKey of 1-(2-bromo-5-chlorophenyl)-N-[(1-methylcyclohexyl)methyl]methanamine?
The InChIKey is QRFNLEXMYDMSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClN/c1-15(7-3-2-4-8-15)11-18-10-12-9-13(17)5-6-14(12)16/h5-6,9,18H,2-4,7-8,10-11H2,1H3.
What are the key properties of 1-(2-bromo-5-chlorophenyl)-N-[(1-methylcyclohexyl)methyl]methanamine?
1-(2-bromo-5-chlorophenyl)-N-[(1-methylcyclohexyl)methyl]methanamine has a molecular weight of 330.70 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chlorophenyl)-N-[(1-methylcyclohexyl)methyl]methanamine is sourced from PubChem (CID 114094772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).