2-[(3-fluoro-5-methoxyphenyl)methylamino]-1-(5-fluoro-2-pyridinyl)ethanol

C15H16F2N2O2 — CID 138000590

IUPAC2-[(3-fluoro-5-methoxyphenyl)methylamino]-1-(5-fluoro-2-pyridinyl)ethanol
SMILESCOc1cc(F)cc(CNCC(O)c2ccc(F)cn2)c1
InChIInChI=1S/C15H16F2N2O2/c1-21-13-5-10(4-12(17)6-13)7-18-9-15(20)14-3-2-11(16)8-19-14/h2-6,8,15,18,20H,7,9H2,1H3
InChIKeyKURCOCGCWCIVCE-UHFFFAOYSA-N
MW294.30 g/mol
LogP2.19
Rot. Bonds6

About 2-[(3-fluoro-5-methoxyphenyl)methylamino]-1-(5-fluoro-2-pyridinyl)ethanol

2-[(3-fluoro-5-methoxyphenyl)methylamino]-1-(5-fluoro-2-pyridinyl)ethanol (PubChem CID 138000590) has the molecular formula C15H16F2N2O2 and a molecular weight of 294.30 g/mol. Its IUPAC name is 2-[(3-fluoro-5-methoxyphenyl)methylamino]-1-(5-fluoro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-[(3-fluoro-5-methoxyphenyl)methylamino]-1-(5-fluoro-2-pyridinyl)ethanol
PubChem CID138000590
Molecular FormulaC15H16F2N2O2
Molecular Weight294.30 g/mol
Exact Mass294.12
IUPAC Name2-[(3-fluoro-5-methoxyphenyl)methylamino]-1-(5-fluoro-2-pyridinyl)ethanol
SMILESCOc1cc(F)cc(CNCC(O)c2ccc(F)cn2)c1
InChIInChI=1S/C15H16F2N2O2/c1-21-13-5-10(4-12(17)6-13)7-18-9-15(20)14-3-2-11(16)8-19-14/h2-6,8,15,18,20H,7,9H2,1H3
InChIKeyKURCOCGCWCIVCE-UHFFFAOYSA-N
XLogP2.19
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-5-methoxyphenyl)methylamino]-1-(5-fluoro-2-pyridinyl)ethanol?
The IUPAC name of 2-[(3-fluoro-5-methoxyphenyl)methylamino]-1-(5-fluoro-2-pyridinyl)ethanol (CID 138000590) is 2-[(3-fluoro-5-methoxyphenyl)methylamino]-1-(5-fluoro-2-pyridinyl)ethanol.
What is the SMILES notation for 2-[(3-fluoro-5-methoxyphenyl)methylamino]-1-(5-fluoro-2-pyridinyl)ethanol?
The canonical SMILES for 2-[(3-fluoro-5-methoxyphenyl)methylamino]-1-(5-fluoro-2-pyridinyl)ethanol is COc1cc(F)cc(CNCC(O)c2ccc(F)cn2)c1.
What is the InChIKey of 2-[(3-fluoro-5-methoxyphenyl)methylamino]-1-(5-fluoro-2-pyridinyl)ethanol?
The InChIKey is KURCOCGCWCIVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2/c1-21-13-5-10(4-12(17)6-13)7-18-9-15(20)14-3-2-11(16)8-19-14/h2-6,8,15,18,20H,7,9H2,1H3.
What are the key properties of 2-[(3-fluoro-5-methoxyphenyl)methylamino]-1-(5-fluoro-2-pyridinyl)ethanol?
2-[(3-fluoro-5-methoxyphenyl)methylamino]-1-(5-fluoro-2-pyridinyl)ethanol has a molecular weight of 294.30 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-5-methoxyphenyl)methylamino]-1-(5-fluoro-2-pyridinyl)ethanol is sourced from PubChem (CID 138000590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).