3-N-(2,6-dichlorophenyl)-5-methoxybenzene-1,3-diamine

C13H12Cl2N2O — CID 80735790

IUPAC3-N-(2,6-dichlorophenyl)-5-methoxybenzene-1,3-diamine
SMILESCOc1cc(N)cc(Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C13H12Cl2N2O/c1-18-10-6-8(16)5-9(7-10)17-13-11(14)3-2-4-12(13)15/h2-7,17H,16H2,1H3
InChIKeyIIZUYJJCIQTJRH-UHFFFAOYSA-N
MW283.16 g/mol
LogP4.33
Rot. Bonds3

About 3-N-(2,6-dichlorophenyl)-5-methoxybenzene-1,3-diamine

3-N-(2,6-dichlorophenyl)-5-methoxybenzene-1,3-diamine (PubChem CID 80735790) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 3-N-(2,6-dichlorophenyl)-5-methoxybenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2,6-dichlorophenyl)-5-methoxybenzene-1,3-diamine
PubChem CID80735790
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name3-N-(2,6-dichlorophenyl)-5-methoxybenzene-1,3-diamine
SMILESCOc1cc(N)cc(Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C13H12Cl2N2O/c1-18-10-6-8(16)5-9(7-10)17-13-11(14)3-2-4-12(13)15/h2-7,17H,16H2,1H3
InChIKeyIIZUYJJCIQTJRH-UHFFFAOYSA-N
XLogP4.33
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine
CID 43148696
5-methoxy-3-N-(3-methoxyphenyl)benzene-1,3-diamine
CID 80722123
3-N-(2-chloro-3-methylphenyl)-5-methoxybenzene-1,3-diamine
CID 114251434
3-N-(2-chloro-4-methylphenyl)-5-methoxybenzene-1,3-diamine
CID 80723730
3-N-(3,5-dimethoxyphenyl)benzene-1,3-diamine
CID 43132798
5-methoxy-3-N-(2-methoxyphenyl)benzene-1,3-diamine
CID 80722898
3-N-[2-chloro-4-(trifluoromethyl)phenyl]-5-methoxybenzene-1,3-diamine
CID 80739420
5-methoxy-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine
CID 80723073
5-methoxy-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-diamine
CID 80722727
3-chloro-2-N-(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
CID 29066564
3-N-(3,4-difluorophenyl)-5-methoxybenzene-1,3-diamine
CID 80722910
5-methoxy-3-N-quinolin-8-ylbenzene-1,3-diamine
CID 80723302

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,6-dichlorophenyl)-5-methoxybenzene-1,3-diamine?
The IUPAC name of 3-N-(2,6-dichlorophenyl)-5-methoxybenzene-1,3-diamine (CID 80735790) is 3-N-(2,6-dichlorophenyl)-5-methoxybenzene-1,3-diamine.
What is the SMILES notation for 3-N-(2,6-dichlorophenyl)-5-methoxybenzene-1,3-diamine?
The canonical SMILES for 3-N-(2,6-dichlorophenyl)-5-methoxybenzene-1,3-diamine is COc1cc(N)cc(Nc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 3-N-(2,6-dichlorophenyl)-5-methoxybenzene-1,3-diamine?
The InChIKey is IIZUYJJCIQTJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c1-18-10-6-8(16)5-9(7-10)17-13-11(14)3-2-4-12(13)15/h2-7,17H,16H2,1H3.
What are the key properties of 3-N-(2,6-dichlorophenyl)-5-methoxybenzene-1,3-diamine?
3-N-(2,6-dichlorophenyl)-5-methoxybenzene-1,3-diamine has a molecular weight of 283.16 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,6-dichlorophenyl)-5-methoxybenzene-1,3-diamine is sourced from PubChem (CID 80735790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).