2-[4-[[4-(1-aminoethyl)-2-pyridinyl]oxy]phenyl]ethanol

C15H18N2O2 — CID 107709110

IUPAC2-[4-[[4-(1-aminoethyl)-2-pyridinyl]oxy]phenyl]ethanol
SMILESCC(N)c1ccnc(Oc2ccc(CCO)cc2)c1
InChIInChI=1S/C15H18N2O2/c1-11(16)13-6-8-17-15(10-13)19-14-4-2-12(3-5-14)7-9-18/h2-6,8,10-11,18H,7,9,16H2,1H3
InChIKeyJIFSDEWWNNZMTF-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.43
Rot. Bonds5

About 2-[4-[[4-(1-aminoethyl)-2-pyridinyl]oxy]phenyl]ethanol

2-[4-[[4-(1-aminoethyl)-2-pyridinyl]oxy]phenyl]ethanol (PubChem CID 107709110) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[4-[[4-(1-aminoethyl)-2-pyridinyl]oxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[[4-(1-aminoethyl)-2-pyridinyl]oxy]phenyl]ethanol
PubChem CID107709110
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[4-[[4-(1-aminoethyl)-2-pyridinyl]oxy]phenyl]ethanol
SMILESCC(N)c1ccnc(Oc2ccc(CCO)cc2)c1
InChIInChI=1S/C15H18N2O2/c1-11(16)13-6-8-17-15(10-13)19-14-4-2-12(3-5-14)7-9-18/h2-6,8,10-11,18H,7,9,16H2,1H3
InChIKeyJIFSDEWWNNZMTF-UHFFFAOYSA-N
XLogP2.43
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-methyl-2-pyridinyl)oxy]phenyl]ethanol
CID 107709611
1-[2-(4-butylphenoxy)-4-pyridinyl]ethanol
CID 115492831
2-[4-[4-(1-aminoethyl)-2-bromophenoxy]phenyl]ethanol
CID 107709115
(1R)-1-(2-quinolin-7-yloxy-4-pyridinyl)ethanamine
CID 107313902
(1S)-1-[2-(4-butan-2-ylphenoxy)-4-pyridinyl]ethanol
CID 107665917
2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]ethanol
CID 107710217
1-[2-(difluoromethoxy)-4-pyridinyl]ethanamine
CID 162524387
4-[4-(2-hydroxyethyl)phenoxy]pyridine-2-carboxamide
CID 107709658
2-[2-(4-methylphenoxy)-4-pyridinyl]propanoic acid
CID 12945002
(1S)-1-[2-(3-bromo-5-nitrophenoxy)-4-pyridinyl]ethanamine
CID 103588811
3-[4-[6-(1-aminoethyl)quinolin-2-yl]oxyphenyl]propan-1-amine
CID 91326144
2-[4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]ethanol
CID 107709067

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(1-aminoethyl)-2-pyridinyl]oxy]phenyl]ethanol?
The IUPAC name of 2-[4-[[4-(1-aminoethyl)-2-pyridinyl]oxy]phenyl]ethanol (CID 107709110) is 2-[4-[[4-(1-aminoethyl)-2-pyridinyl]oxy]phenyl]ethanol.
What is the SMILES notation for 2-[4-[[4-(1-aminoethyl)-2-pyridinyl]oxy]phenyl]ethanol?
The canonical SMILES for 2-[4-[[4-(1-aminoethyl)-2-pyridinyl]oxy]phenyl]ethanol is CC(N)c1ccnc(Oc2ccc(CCO)cc2)c1.
What is the InChIKey of 2-[4-[[4-(1-aminoethyl)-2-pyridinyl]oxy]phenyl]ethanol?
The InChIKey is JIFSDEWWNNZMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(16)13-6-8-17-15(10-13)19-14-4-2-12(3-5-14)7-9-18/h2-6,8,10-11,18H,7,9,16H2,1H3.
What are the key properties of 2-[4-[[4-(1-aminoethyl)-2-pyridinyl]oxy]phenyl]ethanol?
2-[4-[[4-(1-aminoethyl)-2-pyridinyl]oxy]phenyl]ethanol has a molecular weight of 258.32 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(1-aminoethyl)-2-pyridinyl]oxy]phenyl]ethanol is sourced from PubChem (CID 107709110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).