N-(3-bromophenyl)-N',N'-dimethylethane-1,2-diamine

C10H15BrN2 — CID 28581237

IUPACN-(3-bromophenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cccc(Br)c1
InChIInChI=1S/C10H15BrN2/c1-13(2)7-6-12-10-5-3-4-9(11)8-10/h3-5,8,12H,6-7H2,1-2H3
InChIKeyNTMUDWQRSUZEMP-UHFFFAOYSA-N
MW243.15 g/mol
LogP2.42
Rot. Bonds4

About N-(3-bromophenyl)-N',N'-dimethylethane-1,2-diamine

N-(3-bromophenyl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 28581237) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is N-(3-bromophenyl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-bromophenyl)-N',N'-dimethylethane-1,2-diamine
PubChem CID28581237
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC NameN-(3-bromophenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cccc(Br)c1
InChIInChI=1S/C10H15BrN2/c1-13(2)7-6-12-10-5-3-4-9(11)8-10/h3-5,8,12H,6-7H2,1-2H3
InChIKeyNTMUDWQRSUZEMP-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-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

Related Compounds

N-(2-(Dimethylamino)ethyl)aniline
CID 81206
1,2-Ethanediamine, N1-phenyl-
CID 74270
4-bromo-N,N-dimethylaniline
CID 11465
Benzenamine, 4-bromo-N,N-diethyl-
CID 16328
1,2-Ethanediamine, N1,N1-diethyl-N2-phenyl-
CID 74271
N-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 687138
2-Bromo-N,N-dimethylaniline
CID 136527
N-{2-[(3-bromophenyl)-phenylamino]ethyl}acetamide
CID 24750191
2-Bromo-N-methylaniline
CID 334086
3-Bromo-N,N-dimethylaniline
CID 140102
Benzenamine, 4-bromo-N-methyl-
CID 2757052
3,4-dibromo-N,N-dimethylaniline
CID 12288595

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(3-bromophenyl)-N',N'-dimethylethane-1,2-diamine (CID 28581237) is N-(3-bromophenyl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(3-bromophenyl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(3-bromophenyl)-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is NTMUDWQRSUZEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-13(2)7-6-12-10-5-3-4-9(11)8-10/h3-5,8,12H,6-7H2,1-2H3.
What are the key properties of N-(3-bromophenyl)-N',N'-dimethylethane-1,2-diamine?
N-(3-bromophenyl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 243.15 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 28581237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).