2-amino-2-[5-fluoro-2-(hydroxymethyl)phenyl]propan-1-ol

C10H14FNO2 — CID 130041449

IUPAC2-amino-2-[5-fluoro-2-(hydroxymethyl)phenyl]propan-1-ol
SMILESCC(N)(CO)c1cc(F)ccc1CO
InChIInChI=1S/C10H14FNO2/c1-10(12,6-14)9-4-8(11)3-2-7(9)5-13/h2-4,13-14H,5-6,12H2,1H3
InChIKeyQOJNGRMUDPISMH-UHFFFAOYSA-N
MW199.22 g/mol
LogP0.48
Rot. Bonds3

About 2-amino-2-[5-fluoro-2-(hydroxymethyl)phenyl]propan-1-ol

2-amino-2-[5-fluoro-2-(hydroxymethyl)phenyl]propan-1-ol (PubChem CID 130041449) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is 2-amino-2-[5-fluoro-2-(hydroxymethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-2-[5-fluoro-2-(hydroxymethyl)phenyl]propan-1-ol
PubChem CID130041449
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name2-amino-2-[5-fluoro-2-(hydroxymethyl)phenyl]propan-1-ol
SMILESCC(N)(CO)c1cc(F)ccc1CO
InChIInChI=1S/C10H14FNO2/c1-10(12,6-14)9-4-8(11)3-2-7(9)5-13/h2-4,13-14H,5-6,12H2,1H3
InChIKeyQOJNGRMUDPISMH-UHFFFAOYSA-N
XLogP0.48
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(2-amino-5-fluorophenyl)propan-1-ol
CID 55294956
2-amino-2-(4-fluoro-2-methoxyphenyl)propan-1-ol
CID 55273470
2-amino-2-[2-(hydroxymethyl)phenyl]propan-1-ol
CID 55293123
(2R)-2-amino-2-(4-fluoro-2-pyrrolidin-1-ylphenyl)propan-1-ol
CID 165351633
4-amino-4-(2,5-difluorophenyl)pentan-1-ol
CID 116861706
2-[(2R)-2-aminobutan-2-yl]-4-fluorophenol
CID 130673936
(2R)-2-amino-2-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol
CID 55271791
2-(2,5-difluorophenyl)-2-fluoropropan-1-ol
CID 105425213
(2S)-2-amino-2-(2-fluorophenyl)propan-1-ol
CID 90016000
(2S)-2-amino-2-(2-fluoro-4-methylphenyl)propan-1-ol
CID 55262273
bis[(2-tert-butyl-4-fluorophenyl)methyl] carbonate
CID 142757678
3-amino-3-(2-chloro-4-fluorophenyl)butan-1-ol
CID 65239967

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-fluoro-2-(hydroxymethyl)phenyl]propan-1-ol?
The IUPAC name of 2-amino-2-[5-fluoro-2-(hydroxymethyl)phenyl]propan-1-ol (CID 130041449) is 2-amino-2-[5-fluoro-2-(hydroxymethyl)phenyl]propan-1-ol.
What is the SMILES notation for 2-amino-2-[5-fluoro-2-(hydroxymethyl)phenyl]propan-1-ol?
The canonical SMILES for 2-amino-2-[5-fluoro-2-(hydroxymethyl)phenyl]propan-1-ol is CC(N)(CO)c1cc(F)ccc1CO.
What is the InChIKey of 2-amino-2-[5-fluoro-2-(hydroxymethyl)phenyl]propan-1-ol?
The InChIKey is QOJNGRMUDPISMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-10(12,6-14)9-4-8(11)3-2-7(9)5-13/h2-4,13-14H,5-6,12H2,1H3.
What are the key properties of 2-amino-2-[5-fluoro-2-(hydroxymethyl)phenyl]propan-1-ol?
2-amino-2-[5-fluoro-2-(hydroxymethyl)phenyl]propan-1-ol has a molecular weight of 199.22 g/mol, XLogP of 0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[5-fluoro-2-(hydroxymethyl)phenyl]propan-1-ol is sourced from PubChem (CID 130041449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).