2-[2-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]ethanol

C14H16N2O2 — CID 107711711

IUPAC2-[2-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]ethanol
SMILESNCc1ccnc(Oc2ccccc2CCO)c1
InChIInChI=1S/C14H16N2O2/c15-10-11-5-7-16-14(9-11)18-13-4-2-1-3-12(13)6-8-17/h1-5,7,9,17H,6,8,10,15H2
InChIKeyDACDRZWIVDYSKE-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.87
Rot. Bonds5

About 2-[2-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]ethanol

2-[2-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]ethanol (PubChem CID 107711711) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[2-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]ethanol
PubChem CID107711711
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-[2-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]ethanol
SMILESNCc1ccnc(Oc2ccccc2CCO)c1
InChIInChI=1S/C14H16N2O2/c15-10-11-5-7-16-14(9-11)18-13-4-2-1-3-12(13)6-8-17/h1-5,7,9,17H,6,8,10,15H2
InChIKeyDACDRZWIVDYSKE-UHFFFAOYSA-N
XLogP1.87
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]ethanol?
The IUPAC name of 2-[2-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]ethanol (CID 107711711) is 2-[2-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]ethanol.
What is the SMILES notation for 2-[2-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]ethanol?
The canonical SMILES for 2-[2-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]ethanol is NCc1ccnc(Oc2ccccc2CCO)c1.
What is the InChIKey of 2-[2-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]ethanol?
The InChIKey is DACDRZWIVDYSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-10-11-5-7-16-14(9-11)18-13-4-2-1-3-12(13)6-8-17/h1-5,7,9,17H,6,8,10,15H2.
What are the key properties of 2-[2-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]ethanol?
2-[2-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]ethanol has a molecular weight of 244.29 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]ethanol is sourced from PubChem (CID 107711711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).