2-amino-2-(2-amino-5-fluorophenyl)propan-1-ol

C9H13FN2O — CID 55294956

IUPAC2-amino-2-(2-amino-5-fluorophenyl)propan-1-ol
SMILESCC(N)(CO)c1cc(F)ccc1N
InChIInChI=1S/C9H13FN2O/c1-9(12,5-13)7-4-6(10)2-3-8(7)11/h2-4,13H,5,11-12H2,1H3
InChIKeyKJGBMCNFPFYCGN-UHFFFAOYSA-N
MW184.21 g/mol
LogP0.57
Rot. Bonds2

About 2-amino-2-(2-amino-5-fluorophenyl)propan-1-ol

2-amino-2-(2-amino-5-fluorophenyl)propan-1-ol (PubChem CID 55294956) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 2-amino-2-(2-amino-5-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-2-(2-amino-5-fluorophenyl)propan-1-ol
PubChem CID55294956
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name2-amino-2-(2-amino-5-fluorophenyl)propan-1-ol
SMILESCC(N)(CO)c1cc(F)ccc1N
InChIInChI=1S/C9H13FN2O/c1-9(12,5-13)7-4-6(10)2-3-8(7)11/h2-4,13H,5,11-12H2,1H3
InChIKeyKJGBMCNFPFYCGN-UHFFFAOYSA-N
XLogP0.57
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-[5-fluoro-2-(hydroxymethyl)phenyl]propan-1-ol
CID 130041449
(2S)-2-amino-2-(2-amino-5-chlorophenyl)propan-1-ol
CID 130690062
2-amino-2-(4-fluoro-2-methoxyphenyl)propan-1-ol
CID 55273470
2-(2-amino-5-fluorophenyl)-2-methylbutanoyl chloride
CID 117047854
(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
2-(2,5-difluorophenyl)-2-fluoropropan-1-ol
CID 105425213
(2S)-2-amino-2-(2-fluorophenyl)propan-1-ol
CID 90016000
2-(2-amino-4-fluoroanilino)-2-methylpropan-1-ol
CID 43498840
(2S)-2-amino-2-(2-amino-3-fluorophenyl)propan-1-ol
CID 130702904
(2S)-2-amino-2-(2-fluoro-4-methylphenyl)propan-1-ol
CID 55262273

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-amino-5-fluorophenyl)propan-1-ol?
The IUPAC name of 2-amino-2-(2-amino-5-fluorophenyl)propan-1-ol (CID 55294956) is 2-amino-2-(2-amino-5-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2-amino-2-(2-amino-5-fluorophenyl)propan-1-ol?
The canonical SMILES for 2-amino-2-(2-amino-5-fluorophenyl)propan-1-ol is CC(N)(CO)c1cc(F)ccc1N.
What is the InChIKey of 2-amino-2-(2-amino-5-fluorophenyl)propan-1-ol?
The InChIKey is KJGBMCNFPFYCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-9(12,5-13)7-4-6(10)2-3-8(7)11/h2-4,13H,5,11-12H2,1H3.
What are the key properties of 2-amino-2-(2-amino-5-fluorophenyl)propan-1-ol?
2-amino-2-(2-amino-5-fluorophenyl)propan-1-ol has a molecular weight of 184.21 g/mol, XLogP of 0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-amino-5-fluorophenyl)propan-1-ol is sourced from PubChem (CID 55294956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).