2-amino-3-[(5-fluoro-2-methylphenyl)methoxy]phenol

C14H14FNO2 — CID 105369791

IUPAC2-amino-3-[(5-fluoro-2-methylphenyl)methoxy]phenol
SMILESCc1ccc(F)cc1COc1cccc(O)c1N
InChIInChI=1S/C14H14FNO2/c1-9-5-6-11(15)7-10(9)8-18-13-4-2-3-12(17)14(13)16/h2-7,17H,8,16H2,1H3
InChIKeyPKSKVCRCGUWYRL-UHFFFAOYSA-N
MW247.27 g/mol
LogP3.00
Rot. Bonds3

About 2-amino-3-[(5-fluoro-2-methylphenyl)methoxy]phenol

2-amino-3-[(5-fluoro-2-methylphenyl)methoxy]phenol (PubChem CID 105369791) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-amino-3-[(5-fluoro-2-methylphenyl)methoxy]phenol.

Molecular Properties

Compound Name2-amino-3-[(5-fluoro-2-methylphenyl)methoxy]phenol
PubChem CID105369791
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name2-amino-3-[(5-fluoro-2-methylphenyl)methoxy]phenol
SMILESCc1ccc(F)cc1COc1cccc(O)c1N
InChIInChI=1S/C14H14FNO2/c1-9-5-6-11(15)7-10(9)8-18-13-4-2-3-12(17)14(13)16/h2-7,17H,8,16H2,1H3
InChIKeyPKSKVCRCGUWYRL-UHFFFAOYSA-N
XLogP3.00
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 53.00
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'}

Analyze 2-amino-3-[(5-fluoro-2-methylphenyl)methoxy]phenol 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-[(5-fluoro-2-methylphenyl)methoxy]-4-methoxyaniline
CID 105369714
2-fluoro-6-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107013949
3-[(4-fluoro-2-methylphenyl)methoxy]-2-methylphenol
CID 114346383
5-[(5-fluoro-2-methylphenyl)methoxy]-2-methylaniline
CID 114252463
[2-[(2,5-dimethylphenyl)methoxy]-5-fluorophenyl]methanol
CID 107698577
1-[4-fluoro-2-[(5-fluoro-2-methylphenyl)methoxy]phenyl]ethanone
CID 105371740
(5-fluoro-2-methylphenyl)methyl 2-amino-3-methylbenzoate
CID 105374623
methyl 4-amino-3-[(5-fluoro-2-methylphenyl)methoxy]benzoate
CID 105372375
5-[(5-fluoro-2-methylphenyl)methoxy]-2-methoxyaniline
CID 103201230
[3-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanol
CID 107690953
8-[(5-fluoro-2-methylphenyl)methoxy]quinolin-5-amine
CID 105369730
5-[(5-fluoro-2-methylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 105370357

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(5-fluoro-2-methylphenyl)methoxy]phenol?
The IUPAC name of 2-amino-3-[(5-fluoro-2-methylphenyl)methoxy]phenol (CID 105369791) is 2-amino-3-[(5-fluoro-2-methylphenyl)methoxy]phenol.
What is the SMILES notation for 2-amino-3-[(5-fluoro-2-methylphenyl)methoxy]phenol?
The canonical SMILES for 2-amino-3-[(5-fluoro-2-methylphenyl)methoxy]phenol is Cc1ccc(F)cc1COc1cccc(O)c1N.
What is the InChIKey of 2-amino-3-[(5-fluoro-2-methylphenyl)methoxy]phenol?
The InChIKey is PKSKVCRCGUWYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-9-5-6-11(15)7-10(9)8-18-13-4-2-3-12(17)14(13)16/h2-7,17H,8,16H2,1H3.
What are the key properties of 2-amino-3-[(5-fluoro-2-methylphenyl)methoxy]phenol?
2-amino-3-[(5-fluoro-2-methylphenyl)methoxy]phenol has a molecular weight of 247.27 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(5-fluoro-2-methylphenyl)methoxy]phenol is sourced from PubChem (CID 105369791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).