2-(4-methoxyphenyl)aniline

C13H13NO — CID 2759562

IUPAC2-(4-methoxyphenyl)aniline
SMILESCOc1ccc(-c2ccccc2N)cc1
InChIInChI=1S/C13H13NO/c1-15-11-8-6-10(7-9-11)12-4-2-3-5-13(12)14/h2-9H,14H2,1H3
InChIKeyAUUXOXVQBXLAKY-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.94
Rot. Bonds2

About 2-(4-methoxyphenyl)aniline

2-(4-methoxyphenyl)aniline (PubChem CID 2759562) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)aniline.

Molecular Properties

Compound Name2-(4-methoxyphenyl)aniline
PubChem CID2759562
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name2-(4-methoxyphenyl)aniline
SMILESCOc1ccc(-c2ccccc2N)cc1
InChIInChI=1S/C13H13NO/c1-15-11-8-6-10(7-9-11)12-4-2-3-5-13(12)14/h2-9H,14H2,1H3
InChIKeyAUUXOXVQBXLAKY-UHFFFAOYSA-N
XLogP2.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Dianisidine
CID 8411
2-Methoxy-5-Methylaniline
CID 8445
2-Methyl-4-methoxyaniline
CID 7610
o-Dianisidine dihydrochloride
CID 62311
4-Benzyloxyaniline
CID 22860
2-Benzyloxyaniline
CID 240548
Benzenamine, 4-(3-methylphenoxy)-
CID 151352
4-(2-Phenylethoxy)aniline
CID 3026856
3-(Phenoxymethyl)aniline
CID 427435
4-(p-Tolyloxy)aniline
CID 94519
4-Amino-4'-methoxystilbene
CID 5376491
4-Amino-4'-methoxybiphenyl
CID 2759564

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)aniline?
The IUPAC name of 2-(4-methoxyphenyl)aniline (CID 2759562) is 2-(4-methoxyphenyl)aniline.
What is the SMILES notation for 2-(4-methoxyphenyl)aniline?
The canonical SMILES for 2-(4-methoxyphenyl)aniline is COc1ccc(-c2ccccc2N)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)aniline?
The InChIKey is AUUXOXVQBXLAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-15-11-8-6-10(7-9-11)12-4-2-3-5-13(12)14/h2-9H,14H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)aniline?
2-(4-methoxyphenyl)aniline has a molecular weight of 199.25 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)aniline is sourced from PubChem (CID 2759562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).