2-methoxy-4-[1-(1-pyridin-2-ylethylamino)ethyl]phenol

C16H20N2O2 — CID 43202613

IUPAC2-methoxy-4-[1-(1-pyridin-2-ylethylamino)ethyl]phenol
SMILESCOc1cc(C(C)NC(C)c2ccccn2)ccc1O
InChIInChI=1S/C16H20N2O2/c1-11(13-7-8-15(19)16(10-13)20-3)18-12(2)14-6-4-5-9-17-14/h4-12,18-19H,1-3H3
InChIKeyOAGOQTLBMKPEHZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.21
Rot. Bonds5

About 2-methoxy-4-[1-(1-pyridin-2-ylethylamino)ethyl]phenol

2-methoxy-4-[1-(1-pyridin-2-ylethylamino)ethyl]phenol (PubChem CID 43202613) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-methoxy-4-[1-(1-pyridin-2-ylethylamino)ethyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[1-(1-pyridin-2-ylethylamino)ethyl]phenol
PubChem CID43202613
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-methoxy-4-[1-(1-pyridin-2-ylethylamino)ethyl]phenol
SMILESCOc1cc(C(C)NC(C)c2ccccn2)ccc1O
InChIInChI=1S/C16H20N2O2/c1-11(13-7-8-15(19)16(10-13)20-3)18-12(2)14-6-4-5-9-17-14/h4-12,18-19H,1-3H3
InChIKeyOAGOQTLBMKPEHZ-UHFFFAOYSA-N
XLogP3.21
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-[1-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethyl]phenol
CID 81367090
4-[1-[[(1R)-1-(2-bromophenyl)ethyl]amino]ethyl]-2-methoxyphenol
CID 81378019
4-[1-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethyl]-2-methoxyphenol
CID 81355826
2-methoxy-4-[1-(3-methylbutan-2-ylamino)ethyl]phenol
CID 43131291
2-methoxy-4-[1-(1-phenylpropylamino)ethyl]phenol
CID 62304525
5-methoxy-2-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenol
CID 81402064
(1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-N-(1-pyridin-2-ylethyl)ethanamine
CID 45378002
(1S)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylethanamine
CID 81393307
1-(2-methoxy-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81401623
4-[1-(1-hydroxypropan-2-ylamino)ethyl]-2-methoxyphenol
CID 43499613
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
1-(3-fluoro-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81401331

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[1-(1-pyridin-2-ylethylamino)ethyl]phenol?
The IUPAC name of 2-methoxy-4-[1-(1-pyridin-2-ylethylamino)ethyl]phenol (CID 43202613) is 2-methoxy-4-[1-(1-pyridin-2-ylethylamino)ethyl]phenol.
What is the SMILES notation for 2-methoxy-4-[1-(1-pyridin-2-ylethylamino)ethyl]phenol?
The canonical SMILES for 2-methoxy-4-[1-(1-pyridin-2-ylethylamino)ethyl]phenol is COc1cc(C(C)NC(C)c2ccccn2)ccc1O.
What is the InChIKey of 2-methoxy-4-[1-(1-pyridin-2-ylethylamino)ethyl]phenol?
The InChIKey is OAGOQTLBMKPEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11(13-7-8-15(19)16(10-13)20-3)18-12(2)14-6-4-5-9-17-14/h4-12,18-19H,1-3H3.
What are the key properties of 2-methoxy-4-[1-(1-pyridin-2-ylethylamino)ethyl]phenol?
2-methoxy-4-[1-(1-pyridin-2-ylethylamino)ethyl]phenol has a molecular weight of 272.35 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[1-(1-pyridin-2-ylethylamino)ethyl]phenol is sourced from PubChem (CID 43202613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).