4-(3-amino-2-pyridin-2-ylpropyl)-2-ethoxyphenol

C16H20N2O2 — CID 83975818

IUPAC4-(3-amino-2-pyridin-2-ylpropyl)-2-ethoxyphenol
SMILESCCOc1cc(CC(CN)c2ccccn2)ccc1O
InChIInChI=1S/C16H20N2O2/c1-2-20-16-10-12(6-7-15(16)19)9-13(11-17)14-5-3-4-8-18-14/h3-8,10,13,19H,2,9,11,17H2,1H3
InChIKeyQTLBBUBQABOLAZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.47
Rot. Bonds6

About 4-(3-amino-2-pyridin-2-ylpropyl)-2-ethoxyphenol

4-(3-amino-2-pyridin-2-ylpropyl)-2-ethoxyphenol (PubChem CID 83975818) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-(3-amino-2-pyridin-2-ylpropyl)-2-ethoxyphenol.

Molecular Properties

Compound Name4-(3-amino-2-pyridin-2-ylpropyl)-2-ethoxyphenol
PubChem CID83975818
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-(3-amino-2-pyridin-2-ylpropyl)-2-ethoxyphenol
SMILESCCOc1cc(CC(CN)c2ccccn2)ccc1O
InChIInChI=1S/C16H20N2O2/c1-2-20-16-10-12(6-7-15(16)19)9-13(11-17)14-5-3-4-8-18-14/h3-8,10,13,19H,2,9,11,17H2,1H3
InChIKeyQTLBBUBQABOLAZ-UHFFFAOYSA-N
XLogP2.47
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-amino-2-pyridin-2-ylpropyl)-2-chlorophenol
CID 83975838
3-(4-ethoxyphenyl)-2-pyridin-2-ylpropan-1-amine
CID 112509068
3-(3,5-dichloro-4-ethoxyphenyl)-2-pyridin-2-ylpropan-1-amine
CID 83975851
4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-2-ethoxyphenol
CID 83976122
4-[3-amino-2-(2,4-difluorophenyl)propyl]-2-ethoxyphenol
CID 83975161
3-(3-methylphenyl)-2-pyridin-2-ylpropan-1-amine
CID 82080996
3-(4-propoxyphenyl)-2-pyridin-2-ylpropan-1-amine
CID 83975865
4-[3-amino-2-(2-methoxyphenyl)propyl]-2-methoxyphenol
CID 83974353
4-[(3S)-3-aminobutyl]-2-ethoxyphenol
CID 94920449
3-(4-bromophenyl)-2-pyridin-2-ylpropan-1-amine
CID 82094286
4-[3-amino-2-(1,3-benzodioxol-5-yl)propyl]-2-ethoxyphenol
CID 83973932
3-(3,4-diethoxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 82185318

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-pyridin-2-ylpropyl)-2-ethoxyphenol?
The IUPAC name of 4-(3-amino-2-pyridin-2-ylpropyl)-2-ethoxyphenol (CID 83975818) is 4-(3-amino-2-pyridin-2-ylpropyl)-2-ethoxyphenol.
What is the SMILES notation for 4-(3-amino-2-pyridin-2-ylpropyl)-2-ethoxyphenol?
The canonical SMILES for 4-(3-amino-2-pyridin-2-ylpropyl)-2-ethoxyphenol is CCOc1cc(CC(CN)c2ccccn2)ccc1O.
What is the InChIKey of 4-(3-amino-2-pyridin-2-ylpropyl)-2-ethoxyphenol?
The InChIKey is QTLBBUBQABOLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-20-16-10-12(6-7-15(16)19)9-13(11-17)14-5-3-4-8-18-14/h3-8,10,13,19H,2,9,11,17H2,1H3.
What are the key properties of 4-(3-amino-2-pyridin-2-ylpropyl)-2-ethoxyphenol?
4-(3-amino-2-pyridin-2-ylpropyl)-2-ethoxyphenol has a molecular weight of 272.35 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-pyridin-2-ylpropyl)-2-ethoxyphenol is sourced from PubChem (CID 83975818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).