3-[(3,5-dimethylphenoxy)methyl]-4-methoxyaniline

C16H19NO2 — CID 43247193

IUPAC3-[(3,5-dimethylphenoxy)methyl]-4-methoxyaniline
SMILESCOc1ccc(N)cc1COc1cc(C)cc(C)c1
InChIInChI=1S/C16H19NO2/c1-11-6-12(2)8-15(7-11)19-10-13-9-14(17)4-5-16(13)18-3/h4-9H,10,17H2,1-3H3
InChIKeyXBRVETPYOKNQDX-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.47
Rot. Bonds4

About 3-[(3,5-dimethylphenoxy)methyl]-4-methoxyaniline

3-[(3,5-dimethylphenoxy)methyl]-4-methoxyaniline (PubChem CID 43247193) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-[(3,5-dimethylphenoxy)methyl]-4-methoxyaniline.

Molecular Properties

Compound Name3-[(3,5-dimethylphenoxy)methyl]-4-methoxyaniline
PubChem CID43247193
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-[(3,5-dimethylphenoxy)methyl]-4-methoxyaniline
SMILESCOc1ccc(N)cc1COc1cc(C)cc(C)c1
InChIInChI=1S/C16H19NO2/c1-11-6-12(2)8-15(7-11)19-10-13-9-14(17)4-5-16(13)18-3/h4-9H,10,17H2,1-3H3
InChIKeyXBRVETPYOKNQDX-UHFFFAOYSA-N
XLogP3.47
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-bromophenoxy)methyl]-4-methoxyaniline
CID 43134652
3-[(2-methoxy-5-methylphenyl)methoxy]aniline
CID 61034710
1-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanone
CID 43414176
4-methoxy-3-[(2,3,6-trimethylphenoxy)methyl]aniline
CID 43167583
4-[3-(3,5-dimethylphenoxy)propoxy]-3-methoxyaniline
CID 82097195
3-[(5-amino-2-methoxyphenyl)methoxy]benzonitrile
CID 43247211
3-[(2,4-dichlorophenoxy)methyl]-4-methoxyaniline
CID 43247195
3-[(2-bromophenoxy)methyl]-4-methoxyaniline
CID 43134680
4-[(2-methoxy-5-propan-2-ylphenyl)methoxy]aniline
CID 82354174
4-methoxy-3-(prop-2-enoxymethyl)aniline
CID 53363952
3-[(2-bromo-4-fluorophenoxy)methyl]-4-methoxyaniline
CID 43247179
3-methoxy-4-[(2-methoxyphenyl)methoxy]aniline
CID 22112878

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylphenoxy)methyl]-4-methoxyaniline?
The IUPAC name of 3-[(3,5-dimethylphenoxy)methyl]-4-methoxyaniline (CID 43247193) is 3-[(3,5-dimethylphenoxy)methyl]-4-methoxyaniline.
What is the SMILES notation for 3-[(3,5-dimethylphenoxy)methyl]-4-methoxyaniline?
The canonical SMILES for 3-[(3,5-dimethylphenoxy)methyl]-4-methoxyaniline is COc1ccc(N)cc1COc1cc(C)cc(C)c1.
What is the InChIKey of 3-[(3,5-dimethylphenoxy)methyl]-4-methoxyaniline?
The InChIKey is XBRVETPYOKNQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-6-12(2)8-15(7-11)19-10-13-9-14(17)4-5-16(13)18-3/h4-9H,10,17H2,1-3H3.
What are the key properties of 3-[(3,5-dimethylphenoxy)methyl]-4-methoxyaniline?
3-[(3,5-dimethylphenoxy)methyl]-4-methoxyaniline has a molecular weight of 257.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylphenoxy)methyl]-4-methoxyaniline is sourced from PubChem (CID 43247193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).