4-N-(3-chloro-4-methoxyphenyl)-2-methoxybenzene-1,4-diamine

C14H15ClN2O2 — CID 55233537

IUPAC4-N-(3-chloro-4-methoxyphenyl)-2-methoxybenzene-1,4-diamine
SMILESCOc1cc(Nc2ccc(OC)c(Cl)c2)ccc1N
InChIInChI=1S/C14H15ClN2O2/c1-18-13-6-4-9(7-11(13)15)17-10-3-5-12(16)14(8-10)19-2/h3-8,17H,16H2,1-2H3
InChIKeyGSIYKNXXQIFAKT-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.68
Rot. Bonds4

About 4-N-(3-chloro-4-methoxyphenyl)-2-methoxybenzene-1,4-diamine

4-N-(3-chloro-4-methoxyphenyl)-2-methoxybenzene-1,4-diamine (PubChem CID 55233537) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-N-(3-chloro-4-methoxyphenyl)-2-methoxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-methoxyphenyl)-2-methoxybenzene-1,4-diamine
PubChem CID55233537
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name4-N-(3-chloro-4-methoxyphenyl)-2-methoxybenzene-1,4-diamine
SMILESCOc1cc(Nc2ccc(OC)c(Cl)c2)ccc1N
InChIInChI=1S/C14H15ClN2O2/c1-18-13-6-4-9(7-11(13)15)17-10-3-5-12(16)14(8-10)19-2/h3-8,17H,16H2,1-2H3
InChIKeyGSIYKNXXQIFAKT-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

2-N-(3-chloro-4-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine
CID 83004208
1-N-(3-chloro-4-methoxyphenyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258678
4-(3-chloro-4-methoxyanilino)phenol
CID 82537279
2-N-(3-chloro-4-methoxyphenyl)-3-methylbenzene-1,2-diamine
CID 113333668
4-N-[4-(dimethylamino)phenyl]-2-methoxybenzene-1,4-diamine
CID 63669994
2-methoxy-4-N-[4-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 63670108
3-N-(3-chloro-4-methoxyphenyl)-4-methylbenzene-1,3-diamine
CID 55091841
1-N-(3-chloro-4-methoxyphenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589840
8-N-(3-chloro-4-methoxyphenyl)isoquinoline-5,8-diamine
CID 103136960
4-N-(3,4-dichlorophenyl)-2-ethoxybenzene-1,4-diamine
CID 63671293
methyl 4-(3-chloro-4-methoxyanilino)benzoate
CID 175119032
1-N-(3-chloro-4-methoxyphenyl)-4-methylsulfonylbenzene-1,2-diamine
CID 43448023

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-methoxyphenyl)-2-methoxybenzene-1,4-diamine?
The IUPAC name of 4-N-(3-chloro-4-methoxyphenyl)-2-methoxybenzene-1,4-diamine (CID 55233537) is 4-N-(3-chloro-4-methoxyphenyl)-2-methoxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-methoxyphenyl)-2-methoxybenzene-1,4-diamine?
The canonical SMILES for 4-N-(3-chloro-4-methoxyphenyl)-2-methoxybenzene-1,4-diamine is COc1cc(Nc2ccc(OC)c(Cl)c2)ccc1N.
What is the InChIKey of 4-N-(3-chloro-4-methoxyphenyl)-2-methoxybenzene-1,4-diamine?
The InChIKey is GSIYKNXXQIFAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-18-13-6-4-9(7-11(13)15)17-10-3-5-12(16)14(8-10)19-2/h3-8,17H,16H2,1-2H3.
What are the key properties of 4-N-(3-chloro-4-methoxyphenyl)-2-methoxybenzene-1,4-diamine?
4-N-(3-chloro-4-methoxyphenyl)-2-methoxybenzene-1,4-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 4-N-(3-chloro-4-methoxyphenyl)-2-methoxybenzene-1,4-diamine is sourced from PubChem (CID 55233537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).