3-[1-(2-fluorophenyl)ethylamino]propane-1,2-diol

C11H16FNO2 — CID 60632523

IUPAC3-[1-(2-fluorophenyl)ethylamino]propane-1,2-diol
SMILESCC(NCC(O)CO)c1ccccc1F
InChIInChI=1S/C11H16FNO2/c1-8(13-6-9(15)7-14)10-4-2-3-5-11(10)12/h2-5,8-9,13-15H,6-7H2,1H3
InChIKeyOMVQHHQBGSXYPT-UHFFFAOYSA-N
MW213.25 g/mol
LogP0.83
Rot. Bonds5

About 3-[1-(2-fluorophenyl)ethylamino]propane-1,2-diol

3-[1-(2-fluorophenyl)ethylamino]propane-1,2-diol (PubChem CID 60632523) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 3-[1-(2-fluorophenyl)ethylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[1-(2-fluorophenyl)ethylamino]propane-1,2-diol
PubChem CID60632523
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name3-[1-(2-fluorophenyl)ethylamino]propane-1,2-diol
SMILESCC(NCC(O)CO)c1ccccc1F
InChIInChI=1S/C11H16FNO2/c1-8(13-6-9(15)7-14)10-4-2-3-5-11(10)12/h2-5,8-9,13-15H,6-7H2,1H3
InChIKeyOMVQHHQBGSXYPT-UHFFFAOYSA-N
XLogP0.83
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butan-2-ol
CID 81379720
1-(dimethylamino)-3-[1-(2-fluorophenyl)ethylamino]propan-2-ol
CID 54964766
4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-3-hydroxybutanoic acid
CID 103257457
1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 81379953
3-[1-(4-bromo-2-fluorophenyl)ethylamino]propane-1,2-diol
CID 82963254
1-(2,6-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]ethanol
CID 60979791
1-(2-chlorophenyl)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethanol
CID 81380433
2-ethyl-N-[1-(2-fluorophenyl)ethyl]butan-1-amine
CID 60664124
N-[1-(2-fluorophenyl)ethyl]-2-methylsulfanylpropan-1-amine
CID 115760889
N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethoxyethanamine
CID 81379781
3-[1-(2-chloro-4-fluorophenyl)ethylamino]propane-1,2-diol
CID 66175056
N'-[1-(2-fluorophenyl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 43201789

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluorophenyl)ethylamino]propane-1,2-diol?
The IUPAC name of 3-[1-(2-fluorophenyl)ethylamino]propane-1,2-diol (CID 60632523) is 3-[1-(2-fluorophenyl)ethylamino]propane-1,2-diol.
What is the SMILES notation for 3-[1-(2-fluorophenyl)ethylamino]propane-1,2-diol?
The canonical SMILES for 3-[1-(2-fluorophenyl)ethylamino]propane-1,2-diol is CC(NCC(O)CO)c1ccccc1F.
What is the InChIKey of 3-[1-(2-fluorophenyl)ethylamino]propane-1,2-diol?
The InChIKey is OMVQHHQBGSXYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-8(13-6-9(15)7-14)10-4-2-3-5-11(10)12/h2-5,8-9,13-15H,6-7H2,1H3.
What are the key properties of 3-[1-(2-fluorophenyl)ethylamino]propane-1,2-diol?
3-[1-(2-fluorophenyl)ethylamino]propane-1,2-diol has a molecular weight of 213.25 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluorophenyl)ethylamino]propane-1,2-diol is sourced from PubChem (CID 60632523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).