4-methoxy-3-(3-methylphenyl)aniline

C14H15NO — CID 39243259

IUPAC4-methoxy-3-(3-methylphenyl)aniline
SMILESCOc1ccc(N)cc1-c1cccc(C)c1
InChIInChI=1S/C14H15NO/c1-10-4-3-5-11(8-10)13-9-12(15)6-7-14(13)16-2/h3-9H,15H2,1-2H3
InChIKeyFDTWVBSHNVKPRF-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.25
Rot. Bonds2

About 4-methoxy-3-(3-methylphenyl)aniline

4-methoxy-3-(3-methylphenyl)aniline (PubChem CID 39243259) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-methoxy-3-(3-methylphenyl)aniline.

Molecular Properties

Compound Name4-methoxy-3-(3-methylphenyl)aniline
PubChem CID39243259
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name4-methoxy-3-(3-methylphenyl)aniline
SMILESCOc1ccc(N)cc1-c1cccc(C)c1
InChIInChI=1S/C14H15NO/c1-10-4-3-5-11(8-10)13-9-12(15)6-7-14(13)16-2/h3-9H,15H2,1-2H3
InChIKeyFDTWVBSHNVKPRF-UHFFFAOYSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.25
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

3-(2,5-dimethylphenyl)-4-methoxyaniline
CID 39247090
3-(2-methoxy-5-methylphenyl)phenol
CID 39243395
3-(3,4-dimethoxyphenyl)-4-methylaniline
CID 39232128
3-(4-methoxy-3-methylphenyl)-4-methylaniline
CID 55202323
3-(2-methoxy-5-methylphenyl)benzonitrile
CID 39245698
3-(3-aminophenyl)-4-ethoxyaniline
CID 68787828
1-bromo-2-methoxy-4-(3-methylphenyl)benzene
CID 164895138
4-(3-amino-4-methoxyphenyl)benzene-1,3-diamine
CID 22062010
4-methoxy-3-[(3-methylphenyl)methoxy]aniline
CID 16792794
4-(3-fluorophenyl)-3-methoxyaniline
CID 82106976
1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidine-2,5-dione
CID 90305017
4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline
CID 58019873

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(3-methylphenyl)aniline?
The IUPAC name of 4-methoxy-3-(3-methylphenyl)aniline (CID 39243259) is 4-methoxy-3-(3-methylphenyl)aniline.
What is the SMILES notation for 4-methoxy-3-(3-methylphenyl)aniline?
The canonical SMILES for 4-methoxy-3-(3-methylphenyl)aniline is COc1ccc(N)cc1-c1cccc(C)c1.
What is the InChIKey of 4-methoxy-3-(3-methylphenyl)aniline?
The InChIKey is FDTWVBSHNVKPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-10-4-3-5-11(8-10)13-9-12(15)6-7-14(13)16-2/h3-9H,15H2,1-2H3.
What are the key properties of 4-methoxy-3-(3-methylphenyl)aniline?
4-methoxy-3-(3-methylphenyl)aniline has a molecular weight of 213.28 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(3-methylphenyl)aniline is sourced from PubChem (CID 39243259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).