1-[2-(aminomethyl)-4-fluorophenyl]propane-1,2,3-triol

C10H14FNO3 — CID 170817867

IUPAC1-[2-(aminomethyl)-4-fluorophenyl]propane-1,2,3-triol
SMILESNCc1cc(F)ccc1C(O)C(O)CO
InChIInChI=1S/C10H14FNO3/c11-7-1-2-8(6(3-7)4-12)10(15)9(14)5-13/h1-3,9-10,13-15H,4-5,12H2
InChIKeyGULQERZBPWYEIY-UHFFFAOYSA-N
MW215.22 g/mol
LogP-0.33
Rot. Bonds4

About 1-[2-(aminomethyl)-4-fluorophenyl]propane-1,2,3-triol

1-[2-(aminomethyl)-4-fluorophenyl]propane-1,2,3-triol (PubChem CID 170817867) has the molecular formula C10H14FNO3 and a molecular weight of 215.22 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-fluorophenyl]propane-1,2,3-triol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-fluorophenyl]propane-1,2,3-triol
PubChem CID170817867
Molecular FormulaC10H14FNO3
Molecular Weight215.22 g/mol
Exact Mass215.10
IUPAC Name1-[2-(aminomethyl)-4-fluorophenyl]propane-1,2,3-triol
SMILESNCc1cc(F)ccc1C(O)C(O)CO
InChIInChI=1S/C10H14FNO3/c11-7-1-2-8(6(3-7)4-12)10(15)9(14)5-13/h1-3,9-10,13-15H,4-5,12H2
InChIKeyGULQERZBPWYEIY-UHFFFAOYSA-N
XLogP-0.33
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(aminomethyl)-4-fluorophenyl]-2,3-dihydroxypropanoic acid
CID 170823976
1-(2-chloro-5-fluorophenyl)propane-1,2,3-triol
CID 170817435
1-(4-chloro-2-fluorophenyl)propane-1,2,3-triol
CID 170817442
1-[4-fluoro-2-(hydroxymethyl)phenyl]-4-(methylamino)butane-1,2-diol
CID 171890106
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
3-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]propane-1,2-diol
CID 170828543
1-(2,3-diamino-5-fluorophenyl)propane-1,2,3-triol
CID 170817825
1-(2,5-difluorophenyl)butane-1,2,4-triol
CID 171871871
methyl 3-[4-fluoro-2-(hydroxymethyl)phenyl]-2,3-dihydroxypropanoate
CID 171863951
1-(2,6-difluoro-3-pyridinyl)propane-1,2,3-triol
CID 170817617
1-(2,4-difluorophenyl)-4-sulfanylbutane-1,2-diol
CID 171873664
1-(2,4-difluorophenyl)pentane-1,2-diol
CID 103455031

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-fluorophenyl]propane-1,2,3-triol?
The IUPAC name of 1-[2-(aminomethyl)-4-fluorophenyl]propane-1,2,3-triol (CID 170817867) is 1-[2-(aminomethyl)-4-fluorophenyl]propane-1,2,3-triol.
What is the SMILES notation for 1-[2-(aminomethyl)-4-fluorophenyl]propane-1,2,3-triol?
The canonical SMILES for 1-[2-(aminomethyl)-4-fluorophenyl]propane-1,2,3-triol is NCc1cc(F)ccc1C(O)C(O)CO.
What is the InChIKey of 1-[2-(aminomethyl)-4-fluorophenyl]propane-1,2,3-triol?
The InChIKey is GULQERZBPWYEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3/c11-7-1-2-8(6(3-7)4-12)10(15)9(14)5-13/h1-3,9-10,13-15H,4-5,12H2.
What are the key properties of 1-[2-(aminomethyl)-4-fluorophenyl]propane-1,2,3-triol?
1-[2-(aminomethyl)-4-fluorophenyl]propane-1,2,3-triol has a molecular weight of 215.22 g/mol, XLogP of -0.33, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-fluorophenyl]propane-1,2,3-triol is sourced from PubChem (CID 170817867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).