N'-(2,3-dichloro-4-methoxyphenyl)-N-methylmethanediamine

C9H12Cl2N2O — CID 115226587

IUPACN'-(2,3-dichloro-4-methoxyphenyl)-N-methylmethanediamine
SMILESCNCNc1ccc(OC)c(Cl)c1Cl
InChIInChI=1S/C9H12Cl2N2O/c1-12-5-13-6-3-4-7(14-2)9(11)8(6)10/h3-4,12-13H,5H2,1-2H3
InChIKeyKIWSWLOWHDSSTG-UHFFFAOYSA-N
MW235.11 g/mol
LogP2.59
Rot. Bonds4

About N'-(2,3-dichloro-4-methoxyphenyl)-N-methylmethanediamine

N'-(2,3-dichloro-4-methoxyphenyl)-N-methylmethanediamine (PubChem CID 115226587) has the molecular formula C9H12Cl2N2O and a molecular weight of 235.11 g/mol. Its IUPAC name is N'-(2,3-dichloro-4-methoxyphenyl)-N-methylmethanediamine.

Molecular Properties

Compound NameN'-(2,3-dichloro-4-methoxyphenyl)-N-methylmethanediamine
PubChem CID115226587
Molecular FormulaC9H12Cl2N2O
Molecular Weight235.11 g/mol
Exact Mass234.03
IUPAC NameN'-(2,3-dichloro-4-methoxyphenyl)-N-methylmethanediamine
SMILESCNCNc1ccc(OC)c(Cl)c1Cl
InChIInChI=1S/C9H12Cl2N2O/c1-12-5-13-6-3-4-7(14-2)9(11)8(6)10/h3-4,12-13H,5H2,1-2H3
InChIKeyKIWSWLOWHDSSTG-UHFFFAOYSA-N
XLogP2.59
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N'-(2,3-dichloro-4-methoxyphenyl)-N-methylmethanediamine 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

1-(2,3-dichloro-4-methoxyphenyl)-3-methylurea
CID 115168935
N'-(5-bromo-2-methoxyphenyl)-N-methylmethanediamine
CID 115226503
N'-[(2,3-dichloro-4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine
CID 115227073
N'-(5-ethyl-2-methoxyphenyl)-N-methylmethanediamine
CID 115226519
N-[(2,3-dichloro-4-methoxyphenyl)methyl]ethanamine
CID 82551134
N'-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylmethanediamine
CID 115226535
2-(2,3-dichloro-4-methoxyphenyl)-3-(methylamino)propan-1-ol
CID 116835544
4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2,3-dichloroaniline
CID 107787860
methyl 2,6-dichloro-3-methoxybenzoate
CID 72942143
N-[(2,3-dichloro-4-methoxyphenyl)methyl]-2-oxoacetamide
CID 115166291
(2,3-dichloro-4-methoxyphenyl)methylcarbamic acid
CID 115170906
N-[(2,3-dichloro-4-methoxyphenyl)methyl]carbamoyl chloride
CID 115194701

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dichloro-4-methoxyphenyl)-N-methylmethanediamine?
The IUPAC name of N'-(2,3-dichloro-4-methoxyphenyl)-N-methylmethanediamine (CID 115226587) is N'-(2,3-dichloro-4-methoxyphenyl)-N-methylmethanediamine.
What is the SMILES notation for N'-(2,3-dichloro-4-methoxyphenyl)-N-methylmethanediamine?
The canonical SMILES for N'-(2,3-dichloro-4-methoxyphenyl)-N-methylmethanediamine is CNCNc1ccc(OC)c(Cl)c1Cl.
What is the InChIKey of N'-(2,3-dichloro-4-methoxyphenyl)-N-methylmethanediamine?
The InChIKey is KIWSWLOWHDSSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O/c1-12-5-13-6-3-4-7(14-2)9(11)8(6)10/h3-4,12-13H,5H2,1-2H3.
What are the key properties of N'-(2,3-dichloro-4-methoxyphenyl)-N-methylmethanediamine?
N'-(2,3-dichloro-4-methoxyphenyl)-N-methylmethanediamine has a molecular weight of 235.11 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dichloro-4-methoxyphenyl)-N-methylmethanediamine is sourced from PubChem (CID 115226587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).