4-methyl-2-(3-methylphenoxy)aniline

C14H15NO — CID 26189584

IUPAC4-methyl-2-(3-methylphenoxy)aniline
SMILESCc1cccc(Oc2cc(C)ccc2N)c1
InChIInChI=1S/C14H15NO/c1-10-4-3-5-12(8-10)16-14-9-11(2)6-7-13(14)15/h3-9H,15H2,1-2H3
InChIKeyZJDWQPTUGQTOFA-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.68
Rot. Bonds2

About 4-methyl-2-(3-methylphenoxy)aniline

4-methyl-2-(3-methylphenoxy)aniline (PubChem CID 26189584) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-methyl-2-(3-methylphenoxy)aniline.

Molecular Properties

Compound Name4-methyl-2-(3-methylphenoxy)aniline
PubChem CID26189584
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name4-methyl-2-(3-methylphenoxy)aniline
SMILESCc1cccc(Oc2cc(C)ccc2N)c1
InChIInChI=1S/C14H15NO/c1-10-4-3-5-12(8-10)16-14-9-11(2)6-7-13(14)15/h3-9H,15H2,1-2H3
InChIKeyZJDWQPTUGQTOFA-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-2-(3-methylphenoxy)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-bis(3-methylphenoxy)aniline
CID 34173748
4-fluoro-2-(3-methylphenoxy)aniline
CID 62377841
2-(3-tert-butylphenoxy)-4-methylaniline
CID 26189582
2-(3-ethoxyphenoxy)-4-methylaniline
CID 26189621
2-[3-(dimethylamino)phenoxy]-4-methylaniline
CID 26189579
4-(3-methylphenoxy)benzene-1,2-diamine
CID 10488820
4-amino-N-methyl-3-(3-methylphenoxy)benzamide
CID 63357062
1-chloro-4-methyl-2-(3-methylphenoxy)benzene
CID 54166558
4-(3-methylphenoxy)-2-propan-2-yloxyaniline
CID 83001982
2-(4-fluorophenoxy)-4-methylaniline
CID 26189590
4-fluoro-5-iodo-2-(3-methylphenoxy)aniline
CID 66100148
5-chloro-4-fluoro-2-(3-methylphenoxy)aniline
CID 66077893

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methylphenoxy)aniline?
The IUPAC name of 4-methyl-2-(3-methylphenoxy)aniline (CID 26189584) is 4-methyl-2-(3-methylphenoxy)aniline.
What is the SMILES notation for 4-methyl-2-(3-methylphenoxy)aniline?
The canonical SMILES for 4-methyl-2-(3-methylphenoxy)aniline is Cc1cccc(Oc2cc(C)ccc2N)c1.
What is the InChIKey of 4-methyl-2-(3-methylphenoxy)aniline?
The InChIKey is ZJDWQPTUGQTOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-10-4-3-5-12(8-10)16-14-9-11(2)6-7-13(14)15/h3-9H,15H2,1-2H3.
What are the key properties of 4-methyl-2-(3-methylphenoxy)aniline?
4-methyl-2-(3-methylphenoxy)aniline has a molecular weight of 213.28 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylphenoxy)aniline is sourced from PubChem (CID 26189584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).