2-bromo-N-[(2,6-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine

C14H18BrCl2N — CID 102637231

IUPAC2-bromo-N-[(2,6-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCN(Cc1c(Cl)cccc1Cl)C1CCCCC1Br
InChIInChI=1S/C14H18BrCl2N/c1-18(14-8-3-2-5-11(14)15)9-10-12(16)6-4-7-13(10)17/h4,6-7,11,14H,2-3,5,8-9H2,1H3
InChIKeyRDTLDEWXKLHJBP-UHFFFAOYSA-N
MW351.12 g/mol
LogP5.13
Rot. Bonds3

About 2-bromo-N-[(2,6-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine

2-bromo-N-[(2,6-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine (PubChem CID 102637231) has the molecular formula C14H18BrCl2N and a molecular weight of 351.12 g/mol. Its IUPAC name is 2-bromo-N-[(2,6-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-bromo-N-[(2,6-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine
PubChem CID102637231
Molecular FormulaC14H18BrCl2N
Molecular Weight351.12 g/mol
Exact Mass349.00
IUPAC Name2-bromo-N-[(2,6-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCN(Cc1c(Cl)cccc1Cl)C1CCCCC1Br
InChIInChI=1S/C14H18BrCl2N/c1-18(14-8-3-2-5-11(14)15)9-10-12(16)6-4-7-13(10)17/h4,6-7,11,14H,2-3,5,8-9H2,1H3
InChIKeyRDTLDEWXKLHJBP-UHFFFAOYSA-N
XLogP5.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.12
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[(2,6-difluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 102637204
2-bromo-N-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine
CID 102637268
2-[[[2-(aminomethyl)cyclohexyl]-methylamino]methyl]-3-chlorophenol
CID 114321103
2-bromo-N-methyl-N-(quinolin-2-ylmethyl)cyclohexan-1-amine
CID 102637233
2-[(2-bromocyclopentyl)methyl]-1,3-dichlorobenzene
CID 63472924
N-[(2,6-dichlorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 79118637
2-bromo-N-[(3,4-dimethoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 102637367
3-chloro-2-[[cyclopentylmethyl(methyl)amino]methyl]phenol
CID 82981120
N-[(2,6-dichlorophenyl)methyl]-N-methylethanamine
CID 60516634
3-chloro-2-[[cyclohexylmethyl(methyl)amino]methyl]aniline
CID 55242058
N-(2-bromoethyl)-N-[(2,6-dichlorophenyl)methyl]cyclopropanamine
CID 80668807
2-chloro-N-[(2,6-dichlorophenyl)methyl]-N-methylpropan-1-amine
CID 63388129

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2,6-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 2-bromo-N-[(2,6-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine (CID 102637231) is 2-bromo-N-[(2,6-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-bromo-N-[(2,6-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-bromo-N-[(2,6-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine is CN(Cc1c(Cl)cccc1Cl)C1CCCCC1Br.
What is the InChIKey of 2-bromo-N-[(2,6-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is RDTLDEWXKLHJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrCl2N/c1-18(14-8-3-2-5-11(14)15)9-10-12(16)6-4-7-13(10)17/h4,6-7,11,14H,2-3,5,8-9H2,1H3.
What are the key properties of 2-bromo-N-[(2,6-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine?
2-bromo-N-[(2,6-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 351.12 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2,6-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 102637231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).