2-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol

C17H21FN2O — CID 111824291

IUPAC2-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol
SMILESCc1cc(F)ccc1CNCC(CO)Cc1ccccn1
InChIInChI=1S/C17H21FN2O/c1-13-8-16(18)6-5-15(13)11-19-10-14(12-21)9-17-4-2-3-7-20-17/h2-8,14,19,21H,9-12H2,1H3
InChIKeyJFFRRIOWRMIUBC-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.47
Rot. Bonds7

About 2-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol

2-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol (PubChem CID 111824291) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol.

Molecular Properties

Compound Name2-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol
PubChem CID111824291
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name2-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol
SMILESCc1cc(F)ccc1CNCC(CO)Cc1ccccn1
InChIInChI=1S/C17H21FN2O/c1-13-8-16(18)6-5-15(13)11-19-10-14(12-21)9-17-4-2-3-7-20-17/h2-8,14,19,21H,9-12H2,1H3
InChIKeyJFFRRIOWRMIUBC-UHFFFAOYSA-N
XLogP2.47
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2,4-difluorophenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol
CID 111824223
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-methylphenyl)acetamide
CID 111784444
1-[[[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]amino]methyl]naphthalen-2-ol
CID 111824301
2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol
CID 133335592
2-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol
CID 133335566
2-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol
CID 111824278
2-[(4-fluoro-2-methylphenyl)methylamino]propan-1-ol
CID 62135072
2-(4-fluorophenoxy)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-methylpropanamide
CID 111784540
1-[2-(4-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
CID 111793440
N-[(4-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570448
2-[[(2,4-difluorophenyl)methylamino]methyl]butan-1-ol
CID 115250791
1-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 111794675

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol?
The IUPAC name of 2-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol (CID 111824291) is 2-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol.
What is the SMILES notation for 2-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol?
The canonical SMILES for 2-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol is Cc1cc(F)ccc1CNCC(CO)Cc1ccccn1.
What is the InChIKey of 2-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol?
The InChIKey is JFFRRIOWRMIUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-13-8-16(18)6-5-15(13)11-19-10-14(12-21)9-17-4-2-3-7-20-17/h2-8,14,19,21H,9-12H2,1H3.
What are the key properties of 2-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol?
2-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol has a molecular weight of 288.37 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol is sourced from PubChem (CID 111824291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).