[2-[ethyl(pyridin-4-ylmethyl)amino]-5-fluorophenyl]methanol

C15H17FN2O — CID 61448819

IUPAC[2-[ethyl(pyridin-4-ylmethyl)amino]-5-fluorophenyl]methanol
SMILESCCN(Cc1ccncc1)c1ccc(F)cc1CO
InChIInChI=1S/C15H17FN2O/c1-2-18(10-12-5-7-17-8-6-12)15-4-3-14(16)9-13(15)11-19/h3-9,19H,2,10-11H2,1H3
InChIKeyKCFDYTUABDWBJL-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.74
Rot. Bonds5

About [2-[ethyl(pyridin-4-ylmethyl)amino]-5-fluorophenyl]methanol

[2-[ethyl(pyridin-4-ylmethyl)amino]-5-fluorophenyl]methanol (PubChem CID 61448819) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is [2-[ethyl(pyridin-4-ylmethyl)amino]-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-[ethyl(pyridin-4-ylmethyl)amino]-5-fluorophenyl]methanol
PubChem CID61448819
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name[2-[ethyl(pyridin-4-ylmethyl)amino]-5-fluorophenyl]methanol
SMILESCCN(Cc1ccncc1)c1ccc(F)cc1CO
InChIInChI=1S/C15H17FN2O/c1-2-18(10-12-5-7-17-8-6-12)15-4-3-14(16)9-13(15)11-19/h3-9,19H,2,10-11H2,1H3
InChIKeyKCFDYTUABDWBJL-UHFFFAOYSA-N
XLogP2.74
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(pyridin-4-ylmethyl)amino]-5-fluorophenyl]methanol?
The IUPAC name of [2-[ethyl(pyridin-4-ylmethyl)amino]-5-fluorophenyl]methanol (CID 61448819) is [2-[ethyl(pyridin-4-ylmethyl)amino]-5-fluorophenyl]methanol.
What is the SMILES notation for [2-[ethyl(pyridin-4-ylmethyl)amino]-5-fluorophenyl]methanol?
The canonical SMILES for [2-[ethyl(pyridin-4-ylmethyl)amino]-5-fluorophenyl]methanol is CCN(Cc1ccncc1)c1ccc(F)cc1CO.
What is the InChIKey of [2-[ethyl(pyridin-4-ylmethyl)amino]-5-fluorophenyl]methanol?
The InChIKey is KCFDYTUABDWBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-2-18(10-12-5-7-17-8-6-12)15-4-3-14(16)9-13(15)11-19/h3-9,19H,2,10-11H2,1H3.
What are the key properties of [2-[ethyl(pyridin-4-ylmethyl)amino]-5-fluorophenyl]methanol?
[2-[ethyl(pyridin-4-ylmethyl)amino]-5-fluorophenyl]methanol has a molecular weight of 260.31 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(pyridin-4-ylmethyl)amino]-5-fluorophenyl]methanol is sourced from PubChem (CID 61448819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).