3-[(3,5-dimethylphenyl)methoxy]aniline

C15H17NO — CID 54909105

IUPAC3-[(3,5-dimethylphenyl)methoxy]aniline
SMILESCc1cc(C)cc(COc2cccc(N)c2)c1
InChIInChI=1S/C15H17NO/c1-11-6-12(2)8-13(7-11)10-17-15-5-3-4-14(16)9-15/h3-9H,10,16H2,1-2H3
InChIKeyRLWFNNJXZDKJAU-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.46
Rot. Bonds3

About 3-[(3,5-dimethylphenyl)methoxy]aniline

3-[(3,5-dimethylphenyl)methoxy]aniline (PubChem CID 54909105) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-[(3,5-dimethylphenyl)methoxy]aniline.

Molecular Properties

Compound Name3-[(3,5-dimethylphenyl)methoxy]aniline
PubChem CID54909105
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name3-[(3,5-dimethylphenyl)methoxy]aniline
SMILESCc1cc(C)cc(COc2cccc(N)c2)c1
InChIInChI=1S/C15H17NO/c1-11-6-12(2)8-13(7-11)10-17-15-5-3-4-14(16)9-15/h3-9H,10,16H2,1-2H3
InChIKeyRLWFNNJXZDKJAU-UHFFFAOYSA-N
XLogP3.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.46
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

1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene
CID 60644540
1,3-dimethyl-5-(phenoxymethyl)benzene
CID 20649368
4-[(3-methylphenoxy)methyl]aniline
CID 16789694
[3-[(3,5-dimethylphenyl)methoxy]phenyl]boronic acid
CID 54911074
[3-[(3-methylphenyl)methoxy]phenyl]hydrazine
CID 82081355
3-[4-(3-methylphenoxy)butoxy]aniline
CID 39109349
[3-[(4-methylphenyl)methoxy]phenyl]hydrazine
CID 82081357
3-[(2-methoxy-5-methylphenyl)methoxy]aniline
CID 61034710
3-[(3-chloro-4-methoxyphenyl)methoxy]aniline
CID 82354171
3-[(3-aminophenoxy)methyl]benzonitrile
CID 16795875
N-[2-(3-aminophenoxy)ethyl]-N,3,5-trimethylaniline
CID 62001427
3-[[3-[(3-carbamimidoylphenoxy)methyl]-5-methylphenyl]methoxy]benzenecarboximidamide;dihydrochloride
CID 156508315

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylphenyl)methoxy]aniline?
The IUPAC name of 3-[(3,5-dimethylphenyl)methoxy]aniline (CID 54909105) is 3-[(3,5-dimethylphenyl)methoxy]aniline.
What is the SMILES notation for 3-[(3,5-dimethylphenyl)methoxy]aniline?
The canonical SMILES for 3-[(3,5-dimethylphenyl)methoxy]aniline is Cc1cc(C)cc(COc2cccc(N)c2)c1.
What is the InChIKey of 3-[(3,5-dimethylphenyl)methoxy]aniline?
The InChIKey is RLWFNNJXZDKJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-11-6-12(2)8-13(7-11)10-17-15-5-3-4-14(16)9-15/h3-9H,10,16H2,1-2H3.
What are the key properties of 3-[(3,5-dimethylphenyl)methoxy]aniline?
3-[(3,5-dimethylphenyl)methoxy]aniline has a molecular weight of 227.31 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylphenyl)methoxy]aniline is sourced from PubChem (CID 54909105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).