2-[(3-fluoro-2-pyridinyl)-[(2-methoxyphenyl)methyl]amino]ethanol

C15H17FN2O2 — CID 91651077

IUPAC2-[(3-fluoro-2-pyridinyl)-[(2-methoxyphenyl)methyl]amino]ethanol
SMILESCOc1ccccc1CN(CCO)c1ncccc1F
InChIInChI=1S/C15H17FN2O2/c1-20-14-7-3-2-5-12(14)11-18(9-10-19)15-13(16)6-4-8-17-15/h2-8,19H,9-11H2,1H3
InChIKeyIKRRFNNHCNHOOQ-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.23
Rot. Bonds6

About 2-[(3-fluoro-2-pyridinyl)-[(2-methoxyphenyl)methyl]amino]ethanol

2-[(3-fluoro-2-pyridinyl)-[(2-methoxyphenyl)methyl]amino]ethanol (PubChem CID 91651077) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-[(3-fluoro-2-pyridinyl)-[(2-methoxyphenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[(3-fluoro-2-pyridinyl)-[(2-methoxyphenyl)methyl]amino]ethanol
PubChem CID91651077
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name2-[(3-fluoro-2-pyridinyl)-[(2-methoxyphenyl)methyl]amino]ethanol
SMILESCOc1ccccc1CN(CCO)c1ncccc1F
InChIInChI=1S/C15H17FN2O2/c1-20-14-7-3-2-5-12(14)11-18(9-10-19)15-13(16)6-4-8-17-15/h2-8,19H,9-11H2,1H3
InChIKeyIKRRFNNHCNHOOQ-UHFFFAOYSA-N
XLogP2.23
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-2-pyridinyl)-[(2-methoxyphenyl)methyl]amino]ethanol?
The IUPAC name of 2-[(3-fluoro-2-pyridinyl)-[(2-methoxyphenyl)methyl]amino]ethanol (CID 91651077) is 2-[(3-fluoro-2-pyridinyl)-[(2-methoxyphenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[(3-fluoro-2-pyridinyl)-[(2-methoxyphenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[(3-fluoro-2-pyridinyl)-[(2-methoxyphenyl)methyl]amino]ethanol is COc1ccccc1CN(CCO)c1ncccc1F.
What is the InChIKey of 2-[(3-fluoro-2-pyridinyl)-[(2-methoxyphenyl)methyl]amino]ethanol?
The InChIKey is IKRRFNNHCNHOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-20-14-7-3-2-5-12(14)11-18(9-10-19)15-13(16)6-4-8-17-15/h2-8,19H,9-11H2,1H3.
What are the key properties of 2-[(3-fluoro-2-pyridinyl)-[(2-methoxyphenyl)methyl]amino]ethanol?
2-[(3-fluoro-2-pyridinyl)-[(2-methoxyphenyl)methyl]amino]ethanol has a molecular weight of 276.31 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-2-pyridinyl)-[(2-methoxyphenyl)methyl]amino]ethanol is sourced from PubChem (CID 91651077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).