2-(3-fluoro-5-methylanilino)-2-pyridin-2-ylpropan-1-ol

C15H17FN2O — CID 79047415

IUPAC2-(3-fluoro-5-methylanilino)-2-pyridin-2-ylpropan-1-ol
SMILESCc1cc(F)cc(NC(C)(CO)c2ccccn2)c1
InChIInChI=1S/C15H17FN2O/c1-11-7-12(16)9-13(8-11)18-15(2,10-19)14-5-3-4-6-17-14/h3-9,18-19H,10H2,1-2H3
InChIKeyKSHZTTOEBFBCEQ-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.85
Rot. Bonds4

About 2-(3-fluoro-5-methylanilino)-2-pyridin-2-ylpropan-1-ol

2-(3-fluoro-5-methylanilino)-2-pyridin-2-ylpropan-1-ol (PubChem CID 79047415) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-(3-fluoro-5-methylanilino)-2-pyridin-2-ylpropan-1-ol.

Molecular Properties

Compound Name2-(3-fluoro-5-methylanilino)-2-pyridin-2-ylpropan-1-ol
PubChem CID79047415
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name2-(3-fluoro-5-methylanilino)-2-pyridin-2-ylpropan-1-ol
SMILESCc1cc(F)cc(NC(C)(CO)c2ccccn2)c1
InChIInChI=1S/C15H17FN2O/c1-11-7-12(16)9-13(8-11)18-15(2,10-19)14-5-3-4-6-17-14/h3-9,18-19H,10H2,1-2H3
InChIKeyKSHZTTOEBFBCEQ-UHFFFAOYSA-N
XLogP2.85
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-methylanilino)-2-pyridin-2-ylpropan-1-ol?
The IUPAC name of 2-(3-fluoro-5-methylanilino)-2-pyridin-2-ylpropan-1-ol (CID 79047415) is 2-(3-fluoro-5-methylanilino)-2-pyridin-2-ylpropan-1-ol.
What is the SMILES notation for 2-(3-fluoro-5-methylanilino)-2-pyridin-2-ylpropan-1-ol?
The canonical SMILES for 2-(3-fluoro-5-methylanilino)-2-pyridin-2-ylpropan-1-ol is Cc1cc(F)cc(NC(C)(CO)c2ccccn2)c1.
What is the InChIKey of 2-(3-fluoro-5-methylanilino)-2-pyridin-2-ylpropan-1-ol?
The InChIKey is KSHZTTOEBFBCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-11-7-12(16)9-13(8-11)18-15(2,10-19)14-5-3-4-6-17-14/h3-9,18-19H,10H2,1-2H3.
What are the key properties of 2-(3-fluoro-5-methylanilino)-2-pyridin-2-ylpropan-1-ol?
2-(3-fluoro-5-methylanilino)-2-pyridin-2-ylpropan-1-ol has a molecular weight of 260.31 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methylanilino)-2-pyridin-2-ylpropan-1-ol is sourced from PubChem (CID 79047415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).