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

C16H20N2O2 — CID 60903278

IUPAC5-methoxy-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol
SMILESCOc1ccc(C(C)NCCc2ccncc2)c(O)c1
InChIInChI=1S/C16H20N2O2/c1-12(15-4-3-14(20-2)11-16(15)19)18-10-7-13-5-8-17-9-6-13/h3-6,8-9,11-12,18-19H,7,10H2,1-2H3
InChIKeyGQKIBRYUKZRSFT-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.69
Rot. Bonds6

About 5-methoxy-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol

5-methoxy-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol (PubChem CID 60903278) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-methoxy-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol
PubChem CID60903278
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name5-methoxy-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol
SMILESCOc1ccc(C(C)NCCc2ccncc2)c(O)c1
InChIInChI=1S/C16H20N2O2/c1-12(15-4-3-14(20-2)11-16(15)19)18-10-7-13-5-8-17-9-6-13/h3-6,8-9,11-12,18-19H,7,10H2,1-2H3
InChIKeyGQKIBRYUKZRSFT-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-(2-fluoro-4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60903726
5-fluoro-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol
CID 63068848
5-methoxy-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol
CID 62314441
2-[1-[2-(4-hydroxyphenyl)ethylamino]ethyl]-4-methoxyphenol
CID 61237640
5-methoxy-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol
CID 43201413
5-methoxy-2-[1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenol
CID 80682269
2-[1-(4-aminobutylamino)ethyl]-5-methoxyphenol
CID 60893810
2-[1-(butylamino)ethyl]-5-methoxyphenol
CID 43200995
5-methoxy-2-[1-[(4-methoxyphenyl)methylamino]ethyl]phenol
CID 43201039
2-[1-(5-hydroxypentylamino)ethyl]-5-methoxyphenol
CID 107303120
2-[1-[2-(4-chlorophenyl)ethylamino]ethyl]-4-methoxyphenol
CID 43110122
2-[1-[2-(5-bromothiophen-2-yl)ethylamino]ethyl]-5-methoxyphenol
CID 104581933

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol?
The IUPAC name of 5-methoxy-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol (CID 60903278) is 5-methoxy-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol.
What is the SMILES notation for 5-methoxy-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol?
The canonical SMILES for 5-methoxy-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol is COc1ccc(C(C)NCCc2ccncc2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol?
The InChIKey is GQKIBRYUKZRSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12(15-4-3-14(20-2)11-16(15)19)18-10-7-13-5-8-17-9-6-13/h3-6,8-9,11-12,18-19H,7,10H2,1-2H3.
What are the key properties of 5-methoxy-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol?
5-methoxy-2-[1-(2-pyridin-4-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 5-methoxy-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol is sourced from PubChem (CID 60903278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).