2-[[(2,4-difluorophenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol

C16H18F2N2O — CID 111824223

IUPAC2-[[(2,4-difluorophenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol
SMILESOCC(CNCc1ccc(F)cc1F)Cc1ccccn1
InChIInChI=1S/C16H18F2N2O/c17-14-5-4-13(16(18)8-14)10-19-9-12(11-21)7-15-3-1-2-6-20-15/h1-6,8,12,19,21H,7,9-11H2
InChIKeyRNVUDQWIWBFALA-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.30
Rot. Bonds7

About 2-[[(2,4-difluorophenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol

2-[[(2,4-difluorophenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol (PubChem CID 111824223) has the molecular formula C16H18F2N2O and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[[(2,4-difluorophenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol.

Molecular Properties

Compound Name2-[[(2,4-difluorophenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol
PubChem CID111824223
Molecular FormulaC16H18F2N2O
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[[(2,4-difluorophenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol
SMILESOCC(CNCc1ccc(F)cc1F)Cc1ccccn1
InChIInChI=1S/C16H18F2N2O/c17-14-5-4-13(16(18)8-14)10-19-9-12(11-21)7-15-3-1-2-6-20-15/h1-6,8,12,19,21H,7,9-11H2
InChIKeyRNVUDQWIWBFALA-UHFFFAOYSA-N
XLogP2.30
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol
CID 111824291
2-[[(2,4-difluorophenyl)methylamino]methyl]butan-1-ol
CID 115250791
1-[[[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]amino]methyl]naphthalen-2-ol
CID 111824301
3-[(2,4-difluorophenyl)methylamino]propane-1,2-diol
CID 66174825
2-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol
CID 111824278
2-(2,4-difluorophenyl)-3-pyridin-2-ylpropan-1-amine
CID 83975191
1-[2-(4-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
CID 111793440
5-fluoro-2-(pyridin-2-ylmethyl)phenol
CID 83129937
3-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide
CID 111784455
2-(pyridin-2-ylmethyl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]propan-1-ol
CID 111824222
1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
CID 111840646
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-methylphenyl)acetamide
CID 111784444

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,4-difluorophenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol?
The IUPAC name of 2-[[(2,4-difluorophenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol (CID 111824223) is 2-[[(2,4-difluorophenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol.
What is the SMILES notation for 2-[[(2,4-difluorophenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol?
The canonical SMILES for 2-[[(2,4-difluorophenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol is OCC(CNCc1ccc(F)cc1F)Cc1ccccn1.
What is the InChIKey of 2-[[(2,4-difluorophenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol?
The InChIKey is RNVUDQWIWBFALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O/c17-14-5-4-13(16(18)8-14)10-19-9-12(11-21)7-15-3-1-2-6-20-15/h1-6,8,12,19,21H,7,9-11H2.
What are the key properties of 2-[[(2,4-difluorophenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol?
2-[[(2,4-difluorophenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol has a molecular weight of 292.33 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,4-difluorophenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol is sourced from PubChem (CID 111824223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).