2-amino-3-[(4-methylphenyl)methoxy]phenol

C14H15NO2 — CID 114764418

IUPAC2-amino-3-[(4-methylphenyl)methoxy]phenol
SMILESCc1ccc(COc2cccc(O)c2N)cc1
InChIInChI=1S/C14H15NO2/c1-10-5-7-11(8-6-10)9-17-13-4-2-3-12(16)14(13)15/h2-8,16H,9,15H2,1H3
InChIKeyLBFNRIITMFGITO-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.86
Rot. Bonds3

About 2-amino-3-[(4-methylphenyl)methoxy]phenol

2-amino-3-[(4-methylphenyl)methoxy]phenol (PubChem CID 114764418) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-amino-3-[(4-methylphenyl)methoxy]phenol.

Molecular Properties

Compound Name2-amino-3-[(4-methylphenyl)methoxy]phenol
PubChem CID114764418
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-amino-3-[(4-methylphenyl)methoxy]phenol
SMILESCc1ccc(COc2cccc(O)c2N)cc1
InChIInChI=1S/C14H15NO2/c1-10-5-7-11(8-6-10)9-17-13-4-2-3-12(16)14(13)15/h2-8,16H,9,15H2,1H3
InChIKeyLBFNRIITMFGITO-UHFFFAOYSA-N
XLogP2.86
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-[(4-methylphenyl)methoxy]benzaldehyde
CID 143713243
3-[3-[(4-aminophenyl)methoxy]-2-methylphenyl]-2-methylphenol
CID 137398883
2-[[4-(aminomethyl)phenyl]methoxy]phenol
CID 105486618
[2-[(4-methylphenyl)methoxy]phenyl]methanol
CID 887273
2-[(4-methoxyphenyl)methoxy]-6-methylaniline
CID 43381877
2-amino-3-[(5-fluoro-2-methylphenyl)methoxy]phenol
CID 105369791
1-iodo-2-[(4-methylphenyl)methoxy]benzene
CID 63530114
4-[(4-methylphenyl)methoxy]-1H-indazol-3-amine
CID 11708630
ethyl 2-[(4-methylphenyl)methoxy]benzoate
CID 82186194
1-[2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 43504033
2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 80741371
2-chloro-N'-hydroxy-6-[(4-methylphenyl)methoxy]benzenecarboximidamide
CID 114323317

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(4-methylphenyl)methoxy]phenol?
The IUPAC name of 2-amino-3-[(4-methylphenyl)methoxy]phenol (CID 114764418) is 2-amino-3-[(4-methylphenyl)methoxy]phenol.
What is the SMILES notation for 2-amino-3-[(4-methylphenyl)methoxy]phenol?
The canonical SMILES for 2-amino-3-[(4-methylphenyl)methoxy]phenol is Cc1ccc(COc2cccc(O)c2N)cc1.
What is the InChIKey of 2-amino-3-[(4-methylphenyl)methoxy]phenol?
The InChIKey is LBFNRIITMFGITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-10-5-7-11(8-6-10)9-17-13-4-2-3-12(16)14(13)15/h2-8,16H,9,15H2,1H3.
What are the key properties of 2-amino-3-[(4-methylphenyl)methoxy]phenol?
2-amino-3-[(4-methylphenyl)methoxy]phenol has a molecular weight of 229.28 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(4-methylphenyl)methoxy]phenol is sourced from PubChem (CID 114764418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).