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

C10H14FNO2 — CID 56986233

IUPAC3-[(2-fluorophenyl)methylamino]propane-1,2-diol
SMILESOCC(O)CNCc1ccccc1F
InChIInChI=1S/C10H14FNO2/c11-10-4-2-1-3-8(10)5-12-6-9(14)7-13/h1-4,9,12-14H,5-7H2
InChIKeyBDNXCAYOCGVEKB-UHFFFAOYSA-N
MW199.22 g/mol
LogP0.27
Rot. Bonds5

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

3-[(2-fluorophenyl)methylamino]propane-1,2-diol (PubChem CID 56986233) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methylamino]propane-1,2-diol
PubChem CID56986233
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name3-[(2-fluorophenyl)methylamino]propane-1,2-diol
SMILESOCC(O)CNCc1ccccc1F
InChIInChI=1S/C10H14FNO2/c11-10-4-2-1-3-8(10)5-12-6-9(14)7-13/h1-4,9,12-14H,5-7H2
InChIKeyBDNXCAYOCGVEKB-UHFFFAOYSA-N
XLogP0.27
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-fluorophenyl)methylamino]-4-methylpentan-2-ol
CID 103631775
3-[(2,4-difluorophenyl)methylamino]propane-1,2-diol
CID 66174825
3-[(2-chlorophenyl)methylamino]propane-1,2-diol
CID 57229220
1-[(2-fluorophenyl)methylamino]hex-5-en-2-ol
CID 122660658
1-(diethylamino)-3-[(2-fluorophenyl)methylamino]propan-2-ol
CID 60710845
2,2-difluoro-N-[(2-fluorophenyl)methyl]ethanamine
CID 60922653
1-[(2-fluorophenyl)methylamino]-3-methylbutan-2-ol
CID 111421975
3-[[2-(trifluoromethoxy)phenyl]methylamino]propane-1,2-diol
CID 60703872
methyl 5-[(2-fluorophenyl)methylamino]-4-hydroxypentanoate
CID 115123586
1-(4-chlorophenoxy)-3-[(2-fluorophenyl)methylamino]propan-2-ol
CID 60632821
1-[(2-fluorophenyl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 60899710
4-[(2,3-dihydroxypropylamino)methyl]benzene-1,3-diol
CID 66176106

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methylamino]propane-1,2-diol?
The IUPAC name of 3-[(2-fluorophenyl)methylamino]propane-1,2-diol (CID 56986233) is 3-[(2-fluorophenyl)methylamino]propane-1,2-diol.
What is the SMILES notation for 3-[(2-fluorophenyl)methylamino]propane-1,2-diol?
The canonical SMILES for 3-[(2-fluorophenyl)methylamino]propane-1,2-diol is OCC(O)CNCc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)methylamino]propane-1,2-diol?
The InChIKey is BDNXCAYOCGVEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c11-10-4-2-1-3-8(10)5-12-6-9(14)7-13/h1-4,9,12-14H,5-7H2.
What are the key properties of 3-[(2-fluorophenyl)methylamino]propane-1,2-diol?
3-[(2-fluorophenyl)methylamino]propane-1,2-diol has a molecular weight of 199.22 g/mol, XLogP of 0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methylamino]propane-1,2-diol is sourced from PubChem (CID 56986233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).