(2-aminophenyl)-(2-fluoro-3-methoxyphenyl)methanol

C14H14FNO2 — CID 82807791

IUPAC(2-aminophenyl)-(2-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2ccccc2N)c1F
InChIInChI=1S/C14H14FNO2/c1-18-12-8-4-6-10(13(12)15)14(17)9-5-2-3-7-11(9)16/h2-8,14,17H,16H2,1H3
InChIKeyDIBPOLKEYBUFLX-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.50
Rot. Bonds3

About (2-aminophenyl)-(2-fluoro-3-methoxyphenyl)methanol

(2-aminophenyl)-(2-fluoro-3-methoxyphenyl)methanol (PubChem CID 82807791) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is (2-aminophenyl)-(2-fluoro-3-methoxyphenyl)methanol.

Molecular Properties

Compound Name(2-aminophenyl)-(2-fluoro-3-methoxyphenyl)methanol
PubChem CID82807791
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name(2-aminophenyl)-(2-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2ccccc2N)c1F
InChIInChI=1S/C14H14FNO2/c1-18-12-8-4-6-10(13(12)15)14(17)9-5-2-3-7-11(9)16/h2-8,14,17H,16H2,1H3
InChIKeyDIBPOLKEYBUFLX-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-3-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 107469597
(2-amino-5-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807801
(2,3-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82806744
(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82791266
1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55273473
(1S,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55271368
(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 82808424
(2-chloro-4-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807676
(2-amino-3-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol
CID 107469586
(S)-(2-amino-5-fluorophenyl)-(3-methoxy-2-methylphenyl)methanol
CID 129394511
(1R,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol;hydrochloride
CID 171262633
(5-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82805632

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-(2-fluoro-3-methoxyphenyl)methanol?
The IUPAC name of (2-aminophenyl)-(2-fluoro-3-methoxyphenyl)methanol (CID 82807791) is (2-aminophenyl)-(2-fluoro-3-methoxyphenyl)methanol.
What is the SMILES notation for (2-aminophenyl)-(2-fluoro-3-methoxyphenyl)methanol?
The canonical SMILES for (2-aminophenyl)-(2-fluoro-3-methoxyphenyl)methanol is COc1cccc(C(O)c2ccccc2N)c1F.
What is the InChIKey of (2-aminophenyl)-(2-fluoro-3-methoxyphenyl)methanol?
The InChIKey is DIBPOLKEYBUFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-18-12-8-4-6-10(13(12)15)14(17)9-5-2-3-7-11(9)16/h2-8,14,17H,16H2,1H3.
What are the key properties of (2-aminophenyl)-(2-fluoro-3-methoxyphenyl)methanol?
(2-aminophenyl)-(2-fluoro-3-methoxyphenyl)methanol has a molecular weight of 247.27 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-(2-fluoro-3-methoxyphenyl)methanol is sourced from PubChem (CID 82807791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).