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

C16H20N2O2 — CID 43193672

IUPAC4-methoxy-2-[1-(2-pyridin-2-ylethylamino)ethyl]phenol
SMILESCOc1ccc(O)c(C(C)NCCc2ccccn2)c1
InChIInChI=1S/C16H20N2O2/c1-12(15-11-14(20-2)6-7-16(15)19)17-10-8-13-5-3-4-9-18-13/h3-7,9,11-12,17,19H,8,10H2,1-2H3
InChIKeyQLDNVKTUQQYINJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.69
Rot. Bonds6

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

4-methoxy-2-[1-(2-pyridin-2-ylethylamino)ethyl]phenol (PubChem CID 43193672) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-methoxy-2-[1-(2-pyridin-2-ylethylamino)ethyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[1-(2-pyridin-2-ylethylamino)ethyl]phenol
PubChem CID43193672
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-methoxy-2-[1-(2-pyridin-2-ylethylamino)ethyl]phenol
SMILESCOc1ccc(O)c(C(C)NCCc2ccccn2)c1
InChIInChI=1S/C16H20N2O2/c1-12(15-11-14(20-2)6-7-16(15)19)17-10-8-13-5-3-4-9-18-13/h3-7,9,11-12,17,19H,8,10H2,1-2H3
InChIKeyQLDNVKTUQQYINJ-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 43193663
2-[1-[2-(4-hydroxyphenyl)ethylamino]ethyl]-4-methoxyphenol
CID 61237640
4-methoxy-2-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]phenol
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2-[1-[2-(4-chlorophenyl)ethylamino]ethyl]-4-methoxyphenol
CID 43110122
4-methoxy-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol
CID 63305945
2-[1-[2-(dimethylamino)ethylamino]ethyl]-4-methoxyphenol
CID 16775145
2-[1-(3-aminopropylamino)ethyl]-4-methoxyphenol
CID 60889873
2-[1-(2-ethylsulfonylethylamino)ethyl]-4-methoxyphenol
CID 104582220
2-[1-[3-(dimethylamino)propylamino]ethyl]-4-methoxyphenol
CID 43195776
2-[1-[(2-ethylphenyl)methylamino]ethyl]-4-methoxyphenol
CID 64682615
4-methoxy-2-[1-(prop-2-ynylamino)ethyl]phenol
CID 43189507
2-[1-(but-2-ynylamino)ethyl]-4-methoxyphenol
CID 115900748

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[1-(2-pyridin-2-ylethylamino)ethyl]phenol?
The IUPAC name of 4-methoxy-2-[1-(2-pyridin-2-ylethylamino)ethyl]phenol (CID 43193672) is 4-methoxy-2-[1-(2-pyridin-2-ylethylamino)ethyl]phenol.
What is the SMILES notation for 4-methoxy-2-[1-(2-pyridin-2-ylethylamino)ethyl]phenol?
The canonical SMILES for 4-methoxy-2-[1-(2-pyridin-2-ylethylamino)ethyl]phenol is COc1ccc(O)c(C(C)NCCc2ccccn2)c1.
What is the InChIKey of 4-methoxy-2-[1-(2-pyridin-2-ylethylamino)ethyl]phenol?
The InChIKey is QLDNVKTUQQYINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12(15-11-14(20-2)6-7-16(15)19)17-10-8-13-5-3-4-9-18-13/h3-7,9,11-12,17,19H,8,10H2,1-2H3.
What are the key properties of 4-methoxy-2-[1-(2-pyridin-2-ylethylamino)ethyl]phenol?
4-methoxy-2-[1-(2-pyridin-2-ylethylamino)ethyl]phenol has a molecular weight of 272.35 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[1-(2-pyridin-2-ylethylamino)ethyl]phenol is sourced from PubChem (CID 43193672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).