N'-[(2,3-dichloro-4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine

C11H16Cl2N2O — CID 115227073

IUPACN'-[(2,3-dichloro-4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine
SMILESCNCN(C)Cc1ccc(OC)c(Cl)c1Cl
InChIInChI=1S/C11H16Cl2N2O/c1-14-7-15(2)6-8-4-5-9(16-3)11(13)10(8)12/h4-5,14H,6-7H2,1-3H3
InChIKeyBDZFEWJFOQMTKK-UHFFFAOYSA-N
MW263.17 g/mol
LogP2.61
Rot. Bonds5

About N'-[(2,3-dichloro-4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine

N'-[(2,3-dichloro-4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine (PubChem CID 115227073) has the molecular formula C11H16Cl2N2O and a molecular weight of 263.17 g/mol. Its IUPAC name is N'-[(2,3-dichloro-4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine.

Molecular Properties

Compound NameN'-[(2,3-dichloro-4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine
PubChem CID115227073
Molecular FormulaC11H16Cl2N2O
Molecular Weight263.17 g/mol
Exact Mass262.06
IUPAC NameN'-[(2,3-dichloro-4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine
SMILESCNCN(C)Cc1ccc(OC)c(Cl)c1Cl
InChIInChI=1S/C11H16Cl2N2O/c1-14-7-15(2)6-8-4-5-9(16-3)11(13)10(8)12/h4-5,14H,6-7H2,1-3H3
InChIKeyBDZFEWJFOQMTKK-UHFFFAOYSA-N
XLogP2.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylethanamine
CID 115259497
N'-[(5-ethyl-2-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine
CID 115227004
N-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 115191205
N'-(2,3-dichloro-4-methoxyphenyl)-N-methylmethanediamine
CID 115226587
N-[(2,3-dichloro-4-methoxyphenyl)methyl]ethanamine
CID 82551134
N-[(2,3-dichloro-4-methoxyphenyl)methyl]-2-oxoacetamide
CID 115166291
1-(5-chloro-2-methoxy-4-methylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260949
N-[(2,3-dichloro-4-methoxyphenyl)methyl]carbamoyl chloride
CID 115194701
(2,3-dichloro-4-methoxyphenyl)methylcarbamic acid
CID 115170906
N-(bromomethyl)-2-(2,3-dichloro-4-methoxyphenyl)ethanamine
CID 115262285
1-(2-chloro-3,4-dimethoxyphenyl)-N-methylmethanamine
CID 63626727
3-(2,3-dichloro-4-methoxyphenyl)propanenitrile
CID 116927387

Frequently Asked Questions

What is the IUPAC name of N'-[(2,3-dichloro-4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine?
The IUPAC name of N'-[(2,3-dichloro-4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine (CID 115227073) is N'-[(2,3-dichloro-4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine.
What is the SMILES notation for N'-[(2,3-dichloro-4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine?
The canonical SMILES for N'-[(2,3-dichloro-4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine is CNCN(C)Cc1ccc(OC)c(Cl)c1Cl.
What is the InChIKey of N'-[(2,3-dichloro-4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine?
The InChIKey is BDZFEWJFOQMTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O/c1-14-7-15(2)6-8-4-5-9(16-3)11(13)10(8)12/h4-5,14H,6-7H2,1-3H3.
What are the key properties of N'-[(2,3-dichloro-4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine?
N'-[(2,3-dichloro-4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine has a molecular weight of 263.17 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,3-dichloro-4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine is sourced from PubChem (CID 115227073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).