5-methoxy-2-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenol

C16H20N2O2 — CID 81402064

IUPAC5-methoxy-2-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenol
SMILESCOc1ccc(C(C)N[C@H](C)c2ccccn2)c(O)c1
InChIInChI=1S/C16H20N2O2/c1-11(14-8-7-13(20-3)10-16(14)19)18-12(2)15-6-4-5-9-17-15/h4-12,18-19H,1-3H3/t11?,12-/m1/s1
InChIKeyDAUBBLHAZZRHJJ-PIJUOVFKSA-N
MW272.35 g/mol
LogP3.21
Rot. Bonds5

About 5-methoxy-2-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenol

5-methoxy-2-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenol (PubChem CID 81402064) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-methoxy-2-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenol
PubChem CID81402064
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name5-methoxy-2-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenol
SMILESCOc1ccc(C(C)N[C@H](C)c2ccccn2)c(O)c1
InChIInChI=1S/C16H20N2O2/c1-11(14-8-7-13(20-3)10-16(14)19)18-12(2)15-6-4-5-9-17-15/h4-12,18-19H,1-3H3/t11?,12-/m1/s1
InChIKeyDAUBBLHAZZRHJJ-PIJUOVFKSA-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

Computed Properties (RDKit)

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

Analyze 5-methoxy-2-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylethanamine
CID 81393307
5-methoxy-2-[1-(1-phenylethylamino)ethyl]phenol
CID 43200586
5-methoxy-2-[1-[[(1S)-1-phenylethyl]amino]ethyl]phenol
CID 81350522
3-fluoro-4-[1-(1-pyridin-2-ylethylamino)ethyl]phenol
CID 107714620
1-(2-methoxy-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81401623
2-methoxy-4-[1-(1-pyridin-2-ylethylamino)ethyl]phenol
CID 43202613
5-methoxy-2-[1-(1-phenylpropan-2-ylamino)ethyl]phenol
CID 63012949
5-methoxy-2-[1-(4-methylpentan-2-ylamino)ethyl]phenol
CID 43371792
2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]-5-methoxyphenol
CID 104582409
3-methoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43196359
5-methoxy-2-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]phenol
CID 43749211
5-methoxy-2-[1-(2-methylpentan-3-ylamino)ethyl]phenol
CID 54955000

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenol?
The IUPAC name of 5-methoxy-2-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenol (CID 81402064) is 5-methoxy-2-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenol.
What is the SMILES notation for 5-methoxy-2-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenol?
The canonical SMILES for 5-methoxy-2-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenol is COc1ccc(C(C)N[C@H](C)c2ccccn2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenol?
The InChIKey is DAUBBLHAZZRHJJ-PIJUOVFKSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11(14-8-7-13(20-3)10-16(14)19)18-12(2)15-6-4-5-9-17-15/h4-12,18-19H,1-3H3/t11?,12-/m1/s1.
What are the key properties of 5-methoxy-2-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenol?
5-methoxy-2-[1-[[(1R)-1-pyridin-2-ylethyl]amino]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 5-methoxy-2-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenol is sourced from PubChem (CID 81402064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).