3-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine

C14H15ClN2O2 — CID 43148696

IUPAC3-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine
SMILESCOc1cc(Nc2c(N)cccc2Cl)cc(OC)c1
InChIInChI=1S/C14H15ClN2O2/c1-18-10-6-9(7-11(8-10)19-2)17-14-12(15)4-3-5-13(14)16/h3-8,17H,16H2,1-2H3
InChIKeyOMAVBNCCUICDIR-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.68
Rot. Bonds4

About 3-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine

3-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine (PubChem CID 43148696) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 3-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine
PubChem CID43148696
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name3-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine
SMILESCOc1cc(Nc2c(N)cccc2Cl)cc(OC)c1
InChIInChI=1S/C14H15ClN2O2/c1-18-10-6-9(7-11(8-10)19-2)17-14-12(15)4-3-5-13(14)16/h3-8,17H,16H2,1-2H3
InChIKeyOMAVBNCCUICDIR-UHFFFAOYSA-N
XLogP3.68
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-N-(2,6-dichlorophenyl)-5-methoxybenzene-1,3-diamine
CID 80735790
3-chloro-2-N-(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
CID 29066564
3-chloro-2-N-(4-methoxy-3-methylphenyl)benzene-1,2-diamine
CID 54964711
3-amino-2-(3,5-dimethoxyanilino)benzamide
CID 115933905
3-chloro-2-N-(4-ethoxyphenyl)benzene-1,2-diamine
CID 29066424
3-chloro-2-N-(3-iodophenyl)benzene-1,2-diamine
CID 29067112
3-N-(3,5-dimethoxyphenyl)benzene-1,3-diamine
CID 43132798
4-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine
CID 115468540
2-chloro-6-(3,5-dimethoxyanilino)benzenecarbothioamide
CID 62501088
3-chloro-2-N-[4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]benzene-1,2-diamine
CID 137458325
3-chloro-2-N-[3-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 116698695
2-N-(3-chloro-4-methoxyphenyl)-3-methylbenzene-1,2-diamine
CID 113333668

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine?
The IUPAC name of 3-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine (CID 43148696) is 3-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine.
What is the SMILES notation for 3-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine?
The canonical SMILES for 3-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine is COc1cc(Nc2c(N)cccc2Cl)cc(OC)c1.
What is the InChIKey of 3-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine?
The InChIKey is OMAVBNCCUICDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-18-10-6-9(7-11(8-10)19-2)17-14-12(15)4-3-5-13(14)16/h3-8,17H,16H2,1-2H3.
What are the key properties of 3-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine?
3-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine has a molecular weight of 278.74 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine is sourced from PubChem (CID 43148696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).