3-(2,5-dimethylphenyl)-4-methoxyaniline

C15H17NO — CID 39247090

IUPAC3-(2,5-dimethylphenyl)-4-methoxyaniline
SMILESCOc1ccc(N)cc1-c1cc(C)ccc1C
InChIInChI=1S/C15H17NO/c1-10-4-5-11(2)13(8-10)14-9-12(16)6-7-15(14)17-3/h4-9H,16H2,1-3H3
InChIKeyJSEHPFADOVUHCW-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.56
Rot. Bonds2

About 3-(2,5-dimethylphenyl)-4-methoxyaniline

3-(2,5-dimethylphenyl)-4-methoxyaniline (PubChem CID 39247090) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)-4-methoxyaniline.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)-4-methoxyaniline
PubChem CID39247090
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name3-(2,5-dimethylphenyl)-4-methoxyaniline
SMILESCOc1ccc(N)cc1-c1cc(C)ccc1C
InChIInChI=1S/C15H17NO/c1-10-4-5-11(2)13(8-10)14-9-12(16)6-7-15(14)17-3/h4-9H,16H2,1-3H3
InChIKeyJSEHPFADOVUHCW-UHFFFAOYSA-N
XLogP3.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.56
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

2-(2,5-dimethoxyphenyl)-1,4-dimethylbenzene
CID 9003880
3-(4-methoxy-3-methylphenyl)-4-methylaniline
CID 55202323
3-(3,4-dimethoxyphenyl)-4-methylaniline
CID 39232128
3-(2,4-dimethylphenyl)-4-methylaniline
CID 63334523
4-methoxy-3-(3-methylphenyl)aniline
CID 39243259
1-[4-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine
CID 82541809
3-(2,5-dimethylfuran-3-yl)-4-methoxyaniline
CID 61318608
4-(5-amino-2-methylphenyl)-2,6-dimethoxyphenol
CID 174720753
4-(5-fluoro-2-methoxyphenyl)-3-methylaniline
CID 54912636
4-amino-2-(2,5-dimethylphenyl)benzoic acid
CID 82292983
ethane;methane;3-methoxy-4-methylaniline
CID 144516222
1-methoxy-2-[2-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]-4-methylbenzene
CID 13360661

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)-4-methoxyaniline?
The IUPAC name of 3-(2,5-dimethylphenyl)-4-methoxyaniline (CID 39247090) is 3-(2,5-dimethylphenyl)-4-methoxyaniline.
What is the SMILES notation for 3-(2,5-dimethylphenyl)-4-methoxyaniline?
The canonical SMILES for 3-(2,5-dimethylphenyl)-4-methoxyaniline is COc1ccc(N)cc1-c1cc(C)ccc1C.
What is the InChIKey of 3-(2,5-dimethylphenyl)-4-methoxyaniline?
The InChIKey is JSEHPFADOVUHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-10-4-5-11(2)13(8-10)14-9-12(16)6-7-15(14)17-3/h4-9H,16H2,1-3H3.
What are the key properties of 3-(2,5-dimethylphenyl)-4-methoxyaniline?
3-(2,5-dimethylphenyl)-4-methoxyaniline has a molecular weight of 227.31 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)-4-methoxyaniline is sourced from PubChem (CID 39247090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).