3-(2-methoxyphenyl)aniline;hydrochloride

C13H14ClNO — CID 2759565

IUPAC3-(2-methoxyphenyl)aniline;hydrochloride
SMILESCOc1ccccc1-c1cccc(N)c1.Cl
InChIInChI=1S/C13H13NO.ClH/c1-15-13-8-3-2-7-12(13)10-5-4-6-11(14)9-10;/h2-9H,14H2,1H3;1H
InChIKeyFHFFNNZYOZAIBL-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.37
Rot. Bonds2

About 3-(2-methoxyphenyl)aniline;hydrochloride

3-(2-methoxyphenyl)aniline;hydrochloride (PubChem CID 2759565) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)aniline;hydrochloride.

Molecular Properties

Compound Name3-(2-methoxyphenyl)aniline;hydrochloride
PubChem CID2759565
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name3-(2-methoxyphenyl)aniline;hydrochloride
SMILESCOc1ccccc1-c1cccc(N)c1.Cl
InChIInChI=1S/C13H13NO.ClH/c1-15-13-8-3-2-7-12(13)10-5-4-6-11(14)9-10;/h2-9H,14H2,1H3;1H
InChIKeyFHFFNNZYOZAIBL-UHFFFAOYSA-N
XLogP3.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)aniline;hydrochloride?
The IUPAC name of 3-(2-methoxyphenyl)aniline;hydrochloride (CID 2759565) is 3-(2-methoxyphenyl)aniline;hydrochloride.
What is the SMILES notation for 3-(2-methoxyphenyl)aniline;hydrochloride?
The canonical SMILES for 3-(2-methoxyphenyl)aniline;hydrochloride is COc1ccccc1-c1cccc(N)c1.Cl.
What is the InChIKey of 3-(2-methoxyphenyl)aniline;hydrochloride?
The InChIKey is FHFFNNZYOZAIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO.ClH/c1-15-13-8-3-2-7-12(13)10-5-4-6-11(14)9-10;/h2-9H,14H2,1H3;1H.
What are the key properties of 3-(2-methoxyphenyl)aniline;hydrochloride?
3-(2-methoxyphenyl)aniline;hydrochloride has a molecular weight of 235.71 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)aniline;hydrochloride is sourced from PubChem (CID 2759565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).