1-(2-bromo-4-chlorophenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine

C15H21BrClN — CID 107993641

IUPAC1-(2-bromo-4-chlorophenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
SMILESCNC(c1ccc(Cl)cc1Br)C1CCCC(C)C1
InChIInChI=1S/C15H21BrClN/c1-10-4-3-5-11(8-10)15(18-2)13-7-6-12(17)9-14(13)16/h6-7,9-11,15,18H,3-5,8H2,1-2H3
InChIKeyLSJOCSDXVNRYIO-UHFFFAOYSA-N
MW330.70 g/mol
LogP5.19
Rot. Bonds3

About 1-(2-bromo-4-chlorophenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine

1-(2-bromo-4-chlorophenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine (PubChem CID 107993641) has the molecular formula C15H21BrClN and a molecular weight of 330.70 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
PubChem CID107993641
Molecular FormulaC15H21BrClN
Molecular Weight330.70 g/mol
Exact Mass329.05
IUPAC Name1-(2-bromo-4-chlorophenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
SMILESCNC(c1ccc(Cl)cc1Br)C1CCCC(C)C1
InChIInChI=1S/C15H21BrClN/c1-10-4-3-5-11(8-10)15(18-2)13-7-6-12(17)9-14(13)16/h6-7,9-11,15,18H,3-5,8H2,1-2H3
InChIKeyLSJOCSDXVNRYIO-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.70
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 107991787
1-(4-bromo-2-methylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 104991936
(2-bromo-4-chlorophenyl)-cyclobutylmethanamine
CID 103947074
N-[(2-bromo-4-chlorophenyl)-cyclohexylmethyl]propan-1-amine
CID 107991761
1-(2-bromo-4-fluorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 105027896
1-(5-chloro-2-fluorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 114886204
N-[(4-bromo-3-chloro-2-fluorophenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 106762415
[(2-bromo-5-fluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105313608
N-[(2-bromo-5-chlorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 66160263
1-(4-ethylsulfanylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 106848828
1-(5-bromo-2-fluorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine
CID 114894811
1-(4-ethylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 63414820

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine (CID 107993641) is 1-(2-bromo-4-chlorophenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine is CNC(c1ccc(Cl)cc1Br)C1CCCC(C)C1.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
The InChIKey is LSJOCSDXVNRYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClN/c1-10-4-3-5-11(8-10)15(18-2)13-7-6-12(17)9-14(13)16/h6-7,9-11,15,18H,3-5,8H2,1-2H3.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
1-(2-bromo-4-chlorophenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine has a molecular weight of 330.70 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine is sourced from PubChem (CID 107993641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).