N'-(2,6-dichlorophenyl)-N-methylethane-1,2-diamine

C9H12Cl2N2 — CID 12666307

IUPACN'-(2,6-dichlorophenyl)-N-methylethane-1,2-diamine
SMILESCNCCNc1c(Cl)cccc1Cl
InChIInChI=1S/C9H12Cl2N2/c1-12-5-6-13-9-7(10)3-2-4-8(9)11/h2-4,12-13H,5-6H2,1H3
InChIKeyDTYZTSTYENGNHV-UHFFFAOYSA-N
MW219.12 g/mol
LogP2.62
Rot. Bonds4

About N'-(2,6-dichlorophenyl)-N-methylethane-1,2-diamine

N'-(2,6-dichlorophenyl)-N-methylethane-1,2-diamine (PubChem CID 12666307) has the molecular formula C9H12Cl2N2 and a molecular weight of 219.12 g/mol. Its IUPAC name is N'-(2,6-dichlorophenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,6-dichlorophenyl)-N-methylethane-1,2-diamine
PubChem CID12666307
Molecular FormulaC9H12Cl2N2
Molecular Weight219.12 g/mol
Exact Mass218.04
IUPAC NameN'-(2,6-dichlorophenyl)-N-methylethane-1,2-diamine
SMILESCNCCNc1c(Cl)cccc1Cl
InChIInChI=1S/C9H12Cl2N2/c1-12-5-6-13-9-7(10)3-2-4-8(9)11/h2-4,12-13H,5-6H2,1H3
InChIKeyDTYZTSTYENGNHV-UHFFFAOYSA-N
XLogP2.62
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.12
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-(2,6-dichlorophenyl)-N-methylethane-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

2,6-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889033
N,N'-bis(2-chloro-6-methylphenyl)methanediamine
CID 22450713
2,6-dichloro-N-(3-phenylbutyl)aniline
CID 65469702
2-(5-chloronaphthalen-1-yl)sulfonyl-N-methylethanamine
CID 58817611
3-(2-chloro-6-methylanilino)propan-1-ol
CID 18324834
1-(2,6-dichlorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide
CID 119973248
2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 65498984
3-(2,3-dichlorophenyl)-N,3-dimethylbutan-1-amine
CID 81022420
2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline
CID 65467227
3-(2,6-dichloroanilino)-2,2-dimethylpropan-1-ol
CID 81411469
3-(2,6-dichloroanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035835
N-(2-chloro-6-methylphenyl)-2-(methylamino)ethanesulfonamide
CID 66256869

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dichlorophenyl)-N-methylethane-1,2-diamine?
The IUPAC name of N'-(2,6-dichlorophenyl)-N-methylethane-1,2-diamine (CID 12666307) is N'-(2,6-dichlorophenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-(2,6-dichlorophenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N'-(2,6-dichlorophenyl)-N-methylethane-1,2-diamine is CNCCNc1c(Cl)cccc1Cl.
What is the InChIKey of N'-(2,6-dichlorophenyl)-N-methylethane-1,2-diamine?
The InChIKey is DTYZTSTYENGNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2/c1-12-5-6-13-9-7(10)3-2-4-8(9)11/h2-4,12-13H,5-6H2,1H3.
What are the key properties of N'-(2,6-dichlorophenyl)-N-methylethane-1,2-diamine?
N'-(2,6-dichlorophenyl)-N-methylethane-1,2-diamine has a molecular weight of 219.12 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dichlorophenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 12666307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).