2-(2-bromophenyl)-N-methylethanamine

C9H12BrN — CID 11964124

IUPAC2-(2-bromophenyl)-N-methylethanamine
SMILESCNCCc1ccccc1Br
InChIInChI=1S/C9H12BrN/c1-11-7-6-8-4-2-3-5-9(8)10/h2-5,11H,6-7H2,1H3
InChIKeyPBWMDNDMVICFTB-UHFFFAOYSA-N
MW214.11 g/mol
LogP2.21
Rot. Bonds3

About 2-(2-bromophenyl)-N-methylethanamine

2-(2-bromophenyl)-N-methylethanamine (PubChem CID 11964124) has the molecular formula C9H12BrN and a molecular weight of 214.11 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-methylethanamine
PubChem CID11964124
Molecular FormulaC9H12BrN
Molecular Weight214.11 g/mol
Exact Mass213.02
IUPAC Name2-(2-bromophenyl)-N-methylethanamine
SMILESCNCCc1ccccc1Br
InChIInChI=1S/C9H12BrN/c1-11-7-6-8-4-2-3-5-9(8)10/h2-5,11H,6-7H2,1H3
InChIKeyPBWMDNDMVICFTB-UHFFFAOYSA-N
XLogP2.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-bromophenyl)-N-methylethanamine 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

N'-[2-(2-bromophenyl)ethyl]-N-methylmethanediamine
CID 115227263
2-(2-bromophenyl)-N-(chloromethyl)ethanamine
CID 115263436
2-[2-(aminomethyl)phenyl]-N-methylethanamine
CID 58788115
N-[2-(2-bromophenyl)ethyl]nitrous amide
CID 169495086
3-bromo-6-[2-(methylamino)ethyl]benzene-1,2-diol
CID 117367015
N-[2-(2-bromophenyl)ethyl]-2-(methylaminomethyl)butanamide
CID 115188974
N-[2-(2-bromophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206611
N'-[(2-bromophenyl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 61420148
4-[(2-bromophenyl)methoxy]-N-methylbutan-1-amine
CID 82825483
N-[2-(2-bromophenyl)ethyl]propane-2-sulfonamide
CID 48945854
4-(2-bromophenyl)-N-methyl-2-phenylbutan-1-amine
CID 81024067
1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-methylethanamine?
The IUPAC name of 2-(2-bromophenyl)-N-methylethanamine (CID 11964124) is 2-(2-bromophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromophenyl)-N-methylethanamine is CNCCc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-N-methylethanamine?
The InChIKey is PBWMDNDMVICFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN/c1-11-7-6-8-4-2-3-5-9(8)10/h2-5,11H,6-7H2,1H3.
What are the key properties of 2-(2-bromophenyl)-N-methylethanamine?
2-(2-bromophenyl)-N-methylethanamine has a molecular weight of 214.11 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-methylethanamine is sourced from PubChem (CID 11964124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).