3-[(2-methoxy-5-methylphenyl)methoxy]aniline

C15H17NO2 — CID 61034710

IUPAC3-[(2-methoxy-5-methylphenyl)methoxy]aniline
SMILESCOc1ccc(C)cc1COc1cccc(N)c1
InChIInChI=1S/C15H17NO2/c1-11-6-7-15(17-2)12(8-11)10-18-14-5-3-4-13(16)9-14/h3-9H,10,16H2,1-2H3
InChIKeyAOTDABOTQUIQSF-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.16
Rot. Bonds4

About 3-[(2-methoxy-5-methylphenyl)methoxy]aniline

3-[(2-methoxy-5-methylphenyl)methoxy]aniline (PubChem CID 61034710) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[(2-methoxy-5-methylphenyl)methoxy]aniline.

Molecular Properties

Compound Name3-[(2-methoxy-5-methylphenyl)methoxy]aniline
PubChem CID61034710
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-[(2-methoxy-5-methylphenyl)methoxy]aniline
SMILESCOc1ccc(C)cc1COc1cccc(N)c1
InChIInChI=1S/C15H17NO2/c1-11-6-7-15(17-2)12(8-11)10-18-14-5-3-4-13(16)9-14/h3-9H,10,16H2,1-2H3
InChIKeyAOTDABOTQUIQSF-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-[(2-methoxy-5-methylphenyl)methoxy]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

3-[(2-methoxy-5-methylphenyl)methoxy]phenol
CID 62159960
2-[(3-ethylphenoxy)methyl]-1-methoxy-4-methylbenzene
CID 64765116
3-[(3,5-dimethylphenoxy)methyl]-4-methoxyaniline
CID 43247193
3-[(5-amino-2-methoxyphenyl)methoxy]benzonitrile
CID 43247211
3-[(3,5-dimethylphenyl)methoxy]aniline
CID 54909105
3-[(3-chloro-4-methoxyphenyl)methoxy]aniline
CID 82354171
1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanamine
CID 62156324
2-fluoro-1-[(2-methoxy-5-methylphenyl)methoxy]-3-methylbenzene
CID 107662038
6-[(2-methoxy-5-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 63096723
3-[(4,5-dimethoxy-2-nitrophenyl)methoxy]aniline
CID 69123637
4-chloro-2-[(3-chlorophenoxy)methyl]-1-methoxybenzene
CID 64764179
3-[(2-ethoxyphenyl)methoxy]aniline
CID 54908931

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-5-methylphenyl)methoxy]aniline?
The IUPAC name of 3-[(2-methoxy-5-methylphenyl)methoxy]aniline (CID 61034710) is 3-[(2-methoxy-5-methylphenyl)methoxy]aniline.
What is the SMILES notation for 3-[(2-methoxy-5-methylphenyl)methoxy]aniline?
The canonical SMILES for 3-[(2-methoxy-5-methylphenyl)methoxy]aniline is COc1ccc(C)cc1COc1cccc(N)c1.
What is the InChIKey of 3-[(2-methoxy-5-methylphenyl)methoxy]aniline?
The InChIKey is AOTDABOTQUIQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11-6-7-15(17-2)12(8-11)10-18-14-5-3-4-13(16)9-14/h3-9H,10,16H2,1-2H3.
What are the key properties of 3-[(2-methoxy-5-methylphenyl)methoxy]aniline?
3-[(2-methoxy-5-methylphenyl)methoxy]aniline 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-[(2-methoxy-5-methylphenyl)methoxy]aniline is sourced from PubChem (CID 61034710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).