2-ethoxy-4-[(1-pyridin-3-ylethylamino)methyl]phenol

C16H20N2O2 — CID 43181668

IUPAC2-ethoxy-4-[(1-pyridin-3-ylethylamino)methyl]phenol
SMILESCCOc1cc(CNC(C)c2cccnc2)ccc1O
InChIInChI=1S/C16H20N2O2/c1-3-20-16-9-13(6-7-15(16)19)10-18-12(2)14-5-4-8-17-11-14/h4-9,11-12,18-19H,3,10H2,1-2H3
InChIKeyCOGWZCLXPYKRSX-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.04
Rot. Bonds6

About 2-ethoxy-4-[(1-pyridin-3-ylethylamino)methyl]phenol

2-ethoxy-4-[(1-pyridin-3-ylethylamino)methyl]phenol (PubChem CID 43181668) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-ethoxy-4-[(1-pyridin-3-ylethylamino)methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[(1-pyridin-3-ylethylamino)methyl]phenol
PubChem CID43181668
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-ethoxy-4-[(1-pyridin-3-ylethylamino)methyl]phenol
SMILESCCOc1cc(CNC(C)c2cccnc2)ccc1O
InChIInChI=1S/C16H20N2O2/c1-3-20-16-9-13(6-7-15(16)19)10-18-12(2)14-5-4-8-17-11-14/h4-9,11-12,18-19H,3,10H2,1-2H3
InChIKeyCOGWZCLXPYKRSX-UHFFFAOYSA-N
XLogP3.04
TPSA54.38 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 ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-4-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenol
CID 43748484
2-ethoxy-4-[(1-thiophen-3-ylethylamino)methyl]phenol
CID 55122352
4-[(but-3-yn-2-ylamino)methyl]-2-ethoxyphenol
CID 114415445
2-ethoxy-4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]phenol
CID 81403520
(1R)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 78978073
N-[(3,4-dibromophenyl)methyl]-1-pyridin-3-ylethanamine
CID 115692975
2-methoxy-4-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]benzonitrile
CID 106787758
2-methoxy-4-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]benzonitrile
CID 106787757
N-[(4-propoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 43181726
2-ethoxy-4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]phenol
CID 107862653
(1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine
CID 28669732
(1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-pyridin-3-ylethanamine
CID 79032772

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(1-pyridin-3-ylethylamino)methyl]phenol?
The IUPAC name of 2-ethoxy-4-[(1-pyridin-3-ylethylamino)methyl]phenol (CID 43181668) is 2-ethoxy-4-[(1-pyridin-3-ylethylamino)methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[(1-pyridin-3-ylethylamino)methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[(1-pyridin-3-ylethylamino)methyl]phenol is CCOc1cc(CNC(C)c2cccnc2)ccc1O.
What is the InChIKey of 2-ethoxy-4-[(1-pyridin-3-ylethylamino)methyl]phenol?
The InChIKey is COGWZCLXPYKRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-20-16-9-13(6-7-15(16)19)10-18-12(2)14-5-4-8-17-11-14/h4-9,11-12,18-19H,3,10H2,1-2H3.
What are the key properties of 2-ethoxy-4-[(1-pyridin-3-ylethylamino)methyl]phenol?
2-ethoxy-4-[(1-pyridin-3-ylethylamino)methyl]phenol has a molecular weight of 272.35 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(1-pyridin-3-ylethylamino)methyl]phenol is sourced from PubChem (CID 43181668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).