3-[(2,4-difluorophenyl)methylamino]propane-1,2-diol

C10H13F2NO2 — CID 66174825

IUPAC3-[(2,4-difluorophenyl)methylamino]propane-1,2-diol
SMILESOCC(O)CNCc1ccc(F)cc1F
InChIInChI=1S/C10H13F2NO2/c11-8-2-1-7(10(12)3-8)4-13-5-9(15)6-14/h1-3,9,13-15H,4-6H2
InChIKeyOAFWQMNJTFHTHW-UHFFFAOYSA-N
MW217.21 g/mol
LogP0.41
Rot. Bonds5

About 3-[(2,4-difluorophenyl)methylamino]propane-1,2-diol

3-[(2,4-difluorophenyl)methylamino]propane-1,2-diol (PubChem CID 66174825) has the molecular formula C10H13F2NO2 and a molecular weight of 217.21 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)methylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)methylamino]propane-1,2-diol
PubChem CID66174825
Molecular FormulaC10H13F2NO2
Molecular Weight217.21 g/mol
Exact Mass217.09
IUPAC Name3-[(2,4-difluorophenyl)methylamino]propane-1,2-diol
SMILESOCC(O)CNCc1ccc(F)cc1F
InChIInChI=1S/C10H13F2NO2/c11-8-2-1-7(10(12)3-8)4-13-5-9(15)6-14/h1-3,9,13-15H,4-6H2
InChIKeyOAFWQMNJTFHTHW-UHFFFAOYSA-N
XLogP0.41
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-fluorophenyl)methylamino]propane-1,2-diol
CID 56986233
2-[[(2,4-difluorophenyl)methylamino]methyl]butan-1-ol
CID 115250791
3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]propane-1,2-diol
CID 66170151
4-[(2,3-dihydroxypropylamino)methyl]benzene-1,3-diol
CID 66176106
N-[(2,4-difluorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405469
3-[(2-chloro-5-fluoro-4-methylphenyl)methylamino]propane-1,2-diol
CID 115122159
2-[[(2,4-difluorophenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol
CID 111824223
1-(2,4-difluorophenyl)-N-fluoromethanamine
CID 142839769
1-[(2,4-difluorophenyl)methylamino]propan-2-yl acetate
CID 82532955
(2R)-3-[(2-bromo-5-chlorophenyl)methylamino]propane-1,2-diol
CID 165476502
1-[(2,5-difluorophenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 103675866
1-cyclopentyl-N-[(2,4-difluorophenyl)methyl]methanamine
CID 43317286

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenyl)methylamino]propane-1,2-diol?
The IUPAC name of 3-[(2,4-difluorophenyl)methylamino]propane-1,2-diol (CID 66174825) is 3-[(2,4-difluorophenyl)methylamino]propane-1,2-diol.
What is the SMILES notation for 3-[(2,4-difluorophenyl)methylamino]propane-1,2-diol?
The canonical SMILES for 3-[(2,4-difluorophenyl)methylamino]propane-1,2-diol is OCC(O)CNCc1ccc(F)cc1F.
What is the InChIKey of 3-[(2,4-difluorophenyl)methylamino]propane-1,2-diol?
The InChIKey is OAFWQMNJTFHTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2/c11-8-2-1-7(10(12)3-8)4-13-5-9(15)6-14/h1-3,9,13-15H,4-6H2.
What are the key properties of 3-[(2,4-difluorophenyl)methylamino]propane-1,2-diol?
3-[(2,4-difluorophenyl)methylamino]propane-1,2-diol has a molecular weight of 217.21 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)methylamino]propane-1,2-diol is sourced from PubChem (CID 66174825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).