N-[(4-bromo-2-methylphenyl)methyl]-N-ethylcyclopropanamine

C13H18BrN — CID 22568961

IUPACN-[(4-bromo-2-methylphenyl)methyl]-N-ethylcyclopropanamine
SMILESCCN(Cc1ccc(Br)cc1C)C1CC1
InChIInChI=1S/C13H18BrN/c1-3-15(13-6-7-13)9-11-4-5-12(14)8-10(11)2/h4-5,8,13H,3,6-7,9H2,1-2H3
InChIKeyZRZOLQQPQLEFJB-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.74
Rot. Bonds4

About N-[(4-bromo-2-methylphenyl)methyl]-N-ethylcyclopropanamine

N-[(4-bromo-2-methylphenyl)methyl]-N-ethylcyclopropanamine (PubChem CID 22568961) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is N-[(4-bromo-2-methylphenyl)methyl]-N-ethylcyclopropanamine.

Molecular Properties

Compound NameN-[(4-bromo-2-methylphenyl)methyl]-N-ethylcyclopropanamine
PubChem CID22568961
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC NameN-[(4-bromo-2-methylphenyl)methyl]-N-ethylcyclopropanamine
SMILESCCN(Cc1ccc(Br)cc1C)C1CC1
InChIInChI=1S/C13H18BrN/c1-3-15(13-6-7-13)9-11-4-5-12(14)8-10(11)2/h4-5,8,13H,3,6-7,9H2,1-2H3
InChIKeyZRZOLQQPQLEFJB-UHFFFAOYSA-N
XLogP3.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[(4-bromo-2-methylphenyl)methyl]-N-ethylcyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-bromo-2-methylphenyl)methyl-cyclopropylamino]propanoic acid
CID 122100408
N-[[2-bromo-4-[(tert-butylamino)methyl]phenyl]methyl]-N-ethylcyclopropanamine
CID 102769560
4-N-[(4-bromo-3-methylphenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79115569
4-N-[(2-bromophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79115581
N-(2-bromoethyl)-N-[(4-bromo-2-fluorophenyl)methyl]cyclopropanamine
CID 80668899
4-bromo-1-(ethoxymethyl)-2-methylbenzene
CID 117219809
N-[[2-(aminomethyl)phenyl]methyl]-N-ethylcyclopropanamine
CID 43263914
1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanol
CID 110885623
2,4-dibromo-6-[[cycloheptyl(ethyl)amino]methyl]phenol
CID 154338312
3-chloro-4-[[cyclopropyl(ethyl)amino]methyl]benzonitrile
CID 102665286
2-(aminomethyl)-5-bromo-N-cyclopropyl-N-ethylaniline
CID 43264393
2-[[cyclopentyl(ethyl)amino]methyl]-4-methylphenol
CID 82976860

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-methylphenyl)methyl]-N-ethylcyclopropanamine?
The IUPAC name of N-[(4-bromo-2-methylphenyl)methyl]-N-ethylcyclopropanamine (CID 22568961) is N-[(4-bromo-2-methylphenyl)methyl]-N-ethylcyclopropanamine.
What is the SMILES notation for N-[(4-bromo-2-methylphenyl)methyl]-N-ethylcyclopropanamine?
The canonical SMILES for N-[(4-bromo-2-methylphenyl)methyl]-N-ethylcyclopropanamine is CCN(Cc1ccc(Br)cc1C)C1CC1.
What is the InChIKey of N-[(4-bromo-2-methylphenyl)methyl]-N-ethylcyclopropanamine?
The InChIKey is ZRZOLQQPQLEFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-3-15(13-6-7-13)9-11-4-5-12(14)8-10(11)2/h4-5,8,13H,3,6-7,9H2,1-2H3.
What are the key properties of N-[(4-bromo-2-methylphenyl)methyl]-N-ethylcyclopropanamine?
N-[(4-bromo-2-methylphenyl)methyl]-N-ethylcyclopropanamine has a molecular weight of 268.20 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-methylphenyl)methyl]-N-ethylcyclopropanamine is sourced from PubChem (CID 22568961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).