N-[(2-bromo-5-chlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine

C15H21BrClN — CID 66161363

IUPACN-[(2-bromo-5-chlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCc2cc(Cl)ccc2Br)C(C)C1
InChIInChI=1S/C15H21BrClN/c1-10-3-6-15(11(2)7-10)18-9-12-8-13(17)4-5-14(12)16/h4-5,8,10-11,15,18H,3,6-7,9H2,1-2H3
InChIKeyWUHHGTVWXLQAPZ-UHFFFAOYSA-N
MW330.70 g/mol
LogP5.02
Rot. Bonds3

About N-[(2-bromo-5-chlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine

N-[(2-bromo-5-chlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine (PubChem CID 66161363) has the molecular formula C15H21BrClN and a molecular weight of 330.70 g/mol. Its IUPAC name is N-[(2-bromo-5-chlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-chlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
PubChem CID66161363
Molecular FormulaC15H21BrClN
Molecular Weight330.70 g/mol
Exact Mass329.05
IUPAC NameN-[(2-bromo-5-chlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCc2cc(Cl)ccc2Br)C(C)C1
InChIInChI=1S/C15H21BrClN/c1-10-3-6-15(11(2)7-10)18-9-12-8-13(17)4-5-14(12)16/h4-5,8,10-11,15,18H,3,6-7,9H2,1-2H3
InChIKeyWUHHGTVWXLQAPZ-UHFFFAOYSA-N
XLogP5.02
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 ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromo-5-chlorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 66159387
N-[(2-bromo-5-chlorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 66160263
N-[(4-bromo-3-methylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 66474224
N-[(3,5-dichlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993891
N-[2-(2,4-dichlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 64774730
N-[(2,4-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63995268
N-[(2-bromo-5-chlorophenyl)methyl]-2-tert-butylcyclohexan-1-amine
CID 66160658
N-[(2-bromo-5-chlorophenyl)methyl]cyclopentanamine
CID 66158673
N-[(4-chloro-3-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994116
4-chloro-2-[[(2,4-dimethylcyclohexyl)amino]methyl]-6-methoxyphenol
CID 104663878
N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 114842394
N-[(2-bromo-5-chlorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107416853

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine (CID 66161363) is N-[(2-bromo-5-chlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(2-bromo-5-chlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(2-bromo-5-chlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine is CC1CCC(NCc2cc(Cl)ccc2Br)C(C)C1.
What is the InChIKey of N-[(2-bromo-5-chlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
The InChIKey is WUHHGTVWXLQAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClN/c1-10-3-6-15(11(2)7-10)18-9-12-8-13(17)4-5-14(12)16/h4-5,8,10-11,15,18H,3,6-7,9H2,1-2H3.
What are the key properties of N-[(2-bromo-5-chlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
N-[(2-bromo-5-chlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine has a molecular weight of 330.70 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-chlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 66161363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).