N-[(4-bromo-2-chlorophenyl)methyl]-N-methylcycloheptanamine

C15H21BrClN — CID 113471328

IUPACN-[(4-bromo-2-chlorophenyl)methyl]-N-methylcycloheptanamine
SMILESCN(Cc1ccc(Br)cc1Cl)C1CCCCCC1
InChIInChI=1S/C15H21BrClN/c1-18(14-6-4-2-3-5-7-14)11-12-8-9-13(16)10-15(12)17/h8-10,14H,2-7,11H2,1H3
InChIKeyHFQPAVDAUJIBHT-UHFFFAOYSA-N
MW330.70 g/mol
LogP5.26
Rot. Bonds3

About N-[(4-bromo-2-chlorophenyl)methyl]-N-methylcycloheptanamine

N-[(4-bromo-2-chlorophenyl)methyl]-N-methylcycloheptanamine (PubChem CID 113471328) has the molecular formula C15H21BrClN and a molecular weight of 330.70 g/mol. Its IUPAC name is N-[(4-bromo-2-chlorophenyl)methyl]-N-methylcycloheptanamine.

Molecular Properties

Compound NameN-[(4-bromo-2-chlorophenyl)methyl]-N-methylcycloheptanamine
PubChem CID113471328
Molecular FormulaC15H21BrClN
Molecular Weight330.70 g/mol
Exact Mass329.05
IUPAC NameN-[(4-bromo-2-chlorophenyl)methyl]-N-methylcycloheptanamine
SMILESCN(Cc1ccc(Br)cc1Cl)C1CCCCCC1
InChIInChI=1S/C15H21BrClN/c1-18(14-6-4-2-3-5-7-14)11-12-8-9-13(16)10-15(12)17/h8-10,14H,2-7,11H2,1H3
InChIKeyHFQPAVDAUJIBHT-UHFFFAOYSA-N
XLogP5.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.70
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-4-[[cyclopentyl(methyl)amino]methyl]benzonitrile
CID 102665289
N-[(4-bromo-2-chlorophenyl)methyl]-N-(3-bromopropyl)cyclobutanamine
CID 102860014
3-chloro-4-[[cyclobutyl(methyl)amino]methyl]benzoic acid
CID 102670029
3-chloro-4-[[cyclopentyl(methyl)amino]methyl]benzenecarboximidamide
CID 102667749
4-chloro-2-[[cyclohexyl(methyl)amino]methyl]aniline
CID 79583096
N-[(2-chloro-4-methylphenyl)methyl]-N-methylpiperidin-3-amine
CID 106865573
N'-[(4-bromo-2-chlorophenyl)methyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 113409176
N-[(4-bromo-2-chlorophenyl)methyl]-N-methylpropan-1-amine
CID 115598263
N-[(4-bromo-2-chlorophenyl)methyl]cyclopentanamine
CID 60984566
2,4-dichloro-6-[[cyclopentyl(methyl)amino]methyl]phenol
CID 82974965
4-chloro-2-[[cyclopentyl(methyl)amino]methyl]aniline
CID 79583179
(1S)-N-[(4-bromo-2-chlorophenyl)methyl]-1-cyclohexylethanamine
CID 104862320

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]-N-methylcycloheptanamine?
The IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]-N-methylcycloheptanamine (CID 113471328) is N-[(4-bromo-2-chlorophenyl)methyl]-N-methylcycloheptanamine.
What is the SMILES notation for N-[(4-bromo-2-chlorophenyl)methyl]-N-methylcycloheptanamine?
The canonical SMILES for N-[(4-bromo-2-chlorophenyl)methyl]-N-methylcycloheptanamine is CN(Cc1ccc(Br)cc1Cl)C1CCCCCC1.
What is the InChIKey of N-[(4-bromo-2-chlorophenyl)methyl]-N-methylcycloheptanamine?
The InChIKey is HFQPAVDAUJIBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClN/c1-18(14-6-4-2-3-5-7-14)11-12-8-9-13(16)10-15(12)17/h8-10,14H,2-7,11H2,1H3.
What are the key properties of N-[(4-bromo-2-chlorophenyl)methyl]-N-methylcycloheptanamine?
N-[(4-bromo-2-chlorophenyl)methyl]-N-methylcycloheptanamine has a molecular weight of 330.70 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-chlorophenyl)methyl]-N-methylcycloheptanamine is sourced from PubChem (CID 113471328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).