[2-fluoro-5-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]phenyl]methanol

C17H20F2N2O — CID 110013449

IUPAC[2-fluoro-5-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]phenyl]methanol
SMILESCC(C)C(NCc1ccc(F)c(CO)c1)c1ccc(F)cn1
InChIInChI=1S/C17H20F2N2O/c1-11(2)17(16-6-4-14(18)9-20-16)21-8-12-3-5-15(19)13(7-12)10-22/h3-7,9,11,17,21-22H,8,10H2,1-2H3
InChIKeyKNBBHOBNJRWZEC-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.34
Rot. Bonds6

About [2-fluoro-5-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]phenyl]methanol

[2-fluoro-5-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]phenyl]methanol (PubChem CID 110013449) has the molecular formula C17H20F2N2O and a molecular weight of 306.36 g/mol. Its IUPAC name is [2-fluoro-5-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-fluoro-5-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]phenyl]methanol
PubChem CID110013449
Molecular FormulaC17H20F2N2O
Molecular Weight306.36 g/mol
Exact Mass306.15
IUPAC Name[2-fluoro-5-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]phenyl]methanol
SMILESCC(C)C(NCc1ccc(F)c(CO)c1)c1ccc(F)cn1
InChIInChI=1S/C17H20F2N2O/c1-11(2)17(16-6-4-14(18)9-20-16)21-8-12-3-5-15(19)13(7-12)10-22/h3-7,9,11,17,21-22H,8,10H2,1-2H3
InChIKeyKNBBHOBNJRWZEC-UHFFFAOYSA-N
XLogP3.34
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]propan-2-ol
CID 103952261
4-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]-3-methylbutan-1-ol
CID 110013252
1-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]cyclobutan-1-ol
CID 110012184
[5-[[[(1S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]methyl]-2-fluorophenyl]methanol
CID 97107840
1-(5-fluoro-2-pyridinyl)-N-(furan-3-ylmethyl)ethanamine
CID 115886247
3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 83117272
2-(3,4-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 82920135
(1R)-N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methyl-1-pyridin-2-ylpropan-1-amine
CID 97242263
4-[(1R)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide
CID 124515073
5-[1-(5-fluoro-2-pyridinyl)ethylamino]pentan-1-ol
CID 107303084
1-(5-fluoro-2-pyridinyl)-N-[(4-methylsulfonylphenyl)methyl]ethanamine
CID 83119502
(2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 103895006

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]phenyl]methanol?
The IUPAC name of [2-fluoro-5-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]phenyl]methanol (CID 110013449) is [2-fluoro-5-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]phenyl]methanol.
What is the SMILES notation for [2-fluoro-5-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]phenyl]methanol?
The canonical SMILES for [2-fluoro-5-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]phenyl]methanol is CC(C)C(NCc1ccc(F)c(CO)c1)c1ccc(F)cn1.
What is the InChIKey of [2-fluoro-5-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]phenyl]methanol?
The InChIKey is KNBBHOBNJRWZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O/c1-11(2)17(16-6-4-14(18)9-20-16)21-8-12-3-5-15(19)13(7-12)10-22/h3-7,9,11,17,21-22H,8,10H2,1-2H3.
What are the key properties of [2-fluoro-5-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]phenyl]methanol?
[2-fluoro-5-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]phenyl]methanol has a molecular weight of 306.36 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-[[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]methyl]phenyl]methanol is sourced from PubChem (CID 110013449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).