(2-amino-3-fluorophenyl)-(oxan-3-yl)methanol

C12H16FNO2 — CID 105482980

IUPAC(2-amino-3-fluorophenyl)-(oxan-3-yl)methanol
SMILESNc1c(F)cccc1C(O)C1CCCOC1
InChIInChI=1S/C12H16FNO2/c13-10-5-1-4-9(11(10)14)12(15)8-3-2-6-16-7-8/h1,4-5,8,12,15H,2-3,6-7,14H2
InChIKeyUFECFOCYLIPZAA-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.87
Rot. Bonds2

About (2-amino-3-fluorophenyl)-(oxan-3-yl)methanol

(2-amino-3-fluorophenyl)-(oxan-3-yl)methanol (PubChem CID 105482980) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is (2-amino-3-fluorophenyl)-(oxan-3-yl)methanol.

Molecular Properties

Compound Name(2-amino-3-fluorophenyl)-(oxan-3-yl)methanol
PubChem CID105482980
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name(2-amino-3-fluorophenyl)-(oxan-3-yl)methanol
SMILESNc1c(F)cccc1C(O)C1CCCOC1
InChIInChI=1S/C12H16FNO2/c13-10-5-1-4-9(11(10)14)12(15)8-3-2-6-16-7-8/h1,4-5,8,12,15H,2-3,6-7,14H2
InChIKeyUFECFOCYLIPZAA-UHFFFAOYSA-N
XLogP1.87
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.87
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-fluorophenyl)-(oxolan-3-yl)methanol
CID 63565123
(2,4-difluorophenyl)-(oxan-3-yl)methanol
CID 63014562
(2,4-difluoro-5-methylphenyl)-(oxan-3-yl)methanol
CID 79731520
(2-amino-3-fluorophenyl)-(thiolan-3-yl)methanol
CID 105484688
(3-aminophenyl)-(oxan-3-yl)methanol
CID 107136268
(2,3-difluoro-4-methylphenyl)-(oxan-3-yl)methanol
CID 107512213
(2-chloro-4-fluorophenyl)-(oxan-3-yl)methanol
CID 107136089
(5-fluoro-2-methylphenyl)-(oxan-3-yl)methanol
CID 63899537
(2,5-dichlorophenyl)-(oxan-3-yl)methanol
CID 63013314
cyclopentyl-(2,3-difluorophenyl)methanol
CID 63894572
(3-bromo-4-fluorophenyl)-(oxan-3-yl)methanol
CID 79746537
oxolan-3-yl-(2,3,4-trifluorophenyl)methanol
CID 63893972

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-fluorophenyl)-(oxan-3-yl)methanol?
The IUPAC name of (2-amino-3-fluorophenyl)-(oxan-3-yl)methanol (CID 105482980) is (2-amino-3-fluorophenyl)-(oxan-3-yl)methanol.
What is the SMILES notation for (2-amino-3-fluorophenyl)-(oxan-3-yl)methanol?
The canonical SMILES for (2-amino-3-fluorophenyl)-(oxan-3-yl)methanol is Nc1c(F)cccc1C(O)C1CCCOC1.
What is the InChIKey of (2-amino-3-fluorophenyl)-(oxan-3-yl)methanol?
The InChIKey is UFECFOCYLIPZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c13-10-5-1-4-9(11(10)14)12(15)8-3-2-6-16-7-8/h1,4-5,8,12,15H,2-3,6-7,14H2.
What are the key properties of (2-amino-3-fluorophenyl)-(oxan-3-yl)methanol?
(2-amino-3-fluorophenyl)-(oxan-3-yl)methanol has a molecular weight of 225.26 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-fluorophenyl)-(oxan-3-yl)methanol is sourced from PubChem (CID 105482980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).