4-(4-aminophenyl)-2,3-dimethoxyaniline;hydrochloride

C14H17ClN2O2 — CID 174602053

IUPAC4-(4-aminophenyl)-2,3-dimethoxyaniline;hydrochloride
SMILESCOc1c(N)ccc(-c2ccc(N)cc2)c1OC.Cl
InChIInChI=1S/C14H16N2O2.ClH/c1-17-13-11(7-8-12(16)14(13)18-2)9-3-5-10(15)6-4-9;/h3-8H,15-16H2,1-2H3;1H
InChIKeyLTUATLQZKPBRAG-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.96
Rot. Bonds3

About 4-(4-aminophenyl)-2,3-dimethoxyaniline;hydrochloride

4-(4-aminophenyl)-2,3-dimethoxyaniline;hydrochloride (PubChem CID 174602053) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.76 g/mol. Its IUPAC name is 4-(4-aminophenyl)-2,3-dimethoxyaniline;hydrochloride.

Molecular Properties

Compound Name4-(4-aminophenyl)-2,3-dimethoxyaniline;hydrochloride
PubChem CID174602053
Molecular FormulaC14H17ClN2O2
Molecular Weight280.76 g/mol
Exact Mass280.10
IUPAC Name4-(4-aminophenyl)-2,3-dimethoxyaniline;hydrochloride
SMILESCOc1c(N)ccc(-c2ccc(N)cc2)c1OC.Cl
InChIInChI=1S/C14H16N2O2.ClH/c1-17-13-11(7-8-12(16)14(13)18-2)9-3-5-10(15)6-4-9;/h3-8H,15-16H2,1-2H3;1H
InChIKeyLTUATLQZKPBRAG-UHFFFAOYSA-N
XLogP2.96
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.96
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

4-(4-aminophenyl)-2,3-dibutoxyaniline
CID 19931595
CID 67610708
CID 67610708
2-fluoro-4-(2,3,4-trimethoxyphenyl)aniline
CID 61025129
2,3,4-trimethoxyaniline
CID 15455622
2-(2,3,4-trimethoxyphenyl)benzene-1,4-diamine
CID 18371878
4-(4-aminophenyl)-2,3,5,6-tetramethoxyaniline
CID 87574651
2-[4-(2,3,4-trimethoxyphenyl)phenyl]ethanamine
CID 82039666
4-(4-aminophenyl)benzene-1,2,3-triamine;hydrogen peroxide
CID 87166160
4-(4-aminophenyl)aniline;tetrahydrochloride
CID 68733336
4-(2-methoxyphenyl)aniline;molecular nitrogen
CID 70114722
1-(4-chlorophenyl)-2,3,4-trimethoxybenzene
CID 57161799
2-chloro-4-(2-methoxy-3,4-dimethylphenyl)aniline
CID 107607763

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-2,3-dimethoxyaniline;hydrochloride?
The IUPAC name of 4-(4-aminophenyl)-2,3-dimethoxyaniline;hydrochloride (CID 174602053) is 4-(4-aminophenyl)-2,3-dimethoxyaniline;hydrochloride.
What is the SMILES notation for 4-(4-aminophenyl)-2,3-dimethoxyaniline;hydrochloride?
The canonical SMILES for 4-(4-aminophenyl)-2,3-dimethoxyaniline;hydrochloride is COc1c(N)ccc(-c2ccc(N)cc2)c1OC.Cl.
What is the InChIKey of 4-(4-aminophenyl)-2,3-dimethoxyaniline;hydrochloride?
The InChIKey is LTUATLQZKPBRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2.ClH/c1-17-13-11(7-8-12(16)14(13)18-2)9-3-5-10(15)6-4-9;/h3-8H,15-16H2,1-2H3;1H.
What are the key properties of 4-(4-aminophenyl)-2,3-dimethoxyaniline;hydrochloride?
4-(4-aminophenyl)-2,3-dimethoxyaniline;hydrochloride has a molecular weight of 280.76 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-2,3-dimethoxyaniline;hydrochloride is sourced from PubChem (CID 174602053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).