3-[(3-methoxyphenyl)methoxy]-4-methylaniline

C15H17NO2 — CID 43520224

IUPAC3-[(3-methoxyphenyl)methoxy]-4-methylaniline
SMILESCOc1cccc(COc2cc(N)ccc2C)c1
InChIInChI=1S/C15H17NO2/c1-11-6-7-13(16)9-15(11)18-10-12-4-3-5-14(8-12)17-2/h3-9H,10,16H2,1-2H3
InChIKeyAMTWKXNQBDOQNO-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.16
Rot. Bonds4

About 3-[(3-methoxyphenyl)methoxy]-4-methylaniline

3-[(3-methoxyphenyl)methoxy]-4-methylaniline (PubChem CID 43520224) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methoxy]-4-methylaniline.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methoxy]-4-methylaniline
PubChem CID43520224
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-[(3-methoxyphenyl)methoxy]-4-methylaniline
SMILESCOc1cccc(COc2cc(N)ccc2C)c1
InChIInChI=1S/C15H17NO2/c1-11-6-7-13(16)9-15(11)18-10-12-4-3-5-14(8-12)17-2/h3-9H,10,16H2,1-2H3
InChIKeyAMTWKXNQBDOQNO-UHFFFAOYSA-N
XLogP3.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(3-methoxyphenyl)methoxy]-4-methylaniline 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

3-chloro-4-[(3-methoxyphenyl)methoxy]aniline
CID 19626986
5-amino-2-[(3-methoxyphenyl)methoxy]benzonitrile
CID 55134763
1-methoxy-3-[(2-methylphenoxy)methyl]benzene
CID 59416569
methyl 4-amino-2-[(3-methoxyphenyl)methoxy]benzoate
CID 106954943
5-amino-2-[(3-methoxyphenyl)methoxy]benzoic acid
CID 43379967
4-methoxy-3-[(3-methylphenyl)methoxy]aniline
CID 16792794
4-[(3-methoxyphenyl)methoxy]benzene-1,2-diamine
CID 69307184
3-N-[(3-methoxyphenyl)methyl]-4-methylbenzene-1,3-diamine
CID 62589428
2-[(3-methoxyphenyl)methoxy]-3,5-dimethylaniline
CID 55036946
[2-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 19627406
2-[(3-methoxyphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79589508
4-[(3-bromophenyl)methoxy]-3-methoxyaniline
CID 55036826

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methoxy]-4-methylaniline?
The IUPAC name of 3-[(3-methoxyphenyl)methoxy]-4-methylaniline (CID 43520224) is 3-[(3-methoxyphenyl)methoxy]-4-methylaniline.
What is the SMILES notation for 3-[(3-methoxyphenyl)methoxy]-4-methylaniline?
The canonical SMILES for 3-[(3-methoxyphenyl)methoxy]-4-methylaniline is COc1cccc(COc2cc(N)ccc2C)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methoxy]-4-methylaniline?
The InChIKey is AMTWKXNQBDOQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11-6-7-13(16)9-15(11)18-10-12-4-3-5-14(8-12)17-2/h3-9H,10,16H2,1-2H3.
What are the key properties of 3-[(3-methoxyphenyl)methoxy]-4-methylaniline?
3-[(3-methoxyphenyl)methoxy]-4-methylaniline has a molecular weight of 243.31 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methoxy]-4-methylaniline is sourced from PubChem (CID 43520224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).