N'-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine

C10H15BrN2 — CID 83543223

IUPACN'-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)c1ccccc1Br
InChIInChI=1S/C10H15BrN2/c1-12-7-8-13(2)10-6-4-3-5-9(10)11/h3-6,12H,7-8H2,1-2H3
InChIKeyPHAUWLBEPBLRGW-UHFFFAOYSA-N
MW243.15 g/mol
LogP2.10
Rot. Bonds4

About N'-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine

N'-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 83543223) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is N'-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine
PubChem CID83543223
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC NameN'-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)c1ccccc1Br
InChIInChI=1S/C10H15BrN2/c1-12-7-8-13(2)10-6-4-3-5-9(10)11/h3-6,12H,7-8H2,1-2H3
InChIKeyPHAUWLBEPBLRGW-UHFFFAOYSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine (CID 83543223) is N'-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine is CNCCN(C)c1ccccc1Br.
What is the InChIKey of N'-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is PHAUWLBEPBLRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-12-7-8-13(2)10-6-4-3-5-9(10)11/h3-6,12H,7-8H2,1-2H3.
What are the key properties of N'-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine?
N'-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 243.15 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 83543223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).