2-methoxy-4-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]phenol

C16H20N2O3 — CID 60857683

IUPAC2-methoxy-4-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]phenol
SMILESCOc1cc(C(C)NCc2cccnc2OC)ccc1O
InChIInChI=1S/C16H20N2O3/c1-11(12-6-7-14(19)15(9-12)20-2)18-10-13-5-4-8-17-16(13)21-3/h4-9,11,18-19H,10H2,1-3H3
InChIKeyHVUKXPGZDJLGKB-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.66
Rot. Bonds6

About 2-methoxy-4-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]phenol

2-methoxy-4-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]phenol (PubChem CID 60857683) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-methoxy-4-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]phenol
PubChem CID60857683
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-methoxy-4-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]phenol
SMILESCOc1cc(C(C)NCc2cccnc2OC)ccc1O
InChIInChI=1S/C16H20N2O3/c1-11(12-6-7-14(19)15(9-12)20-2)18-10-13-5-4-8-17-16(13)21-3/h4-9,11,18-19H,10H2,1-3H3
InChIKeyHVUKXPGZDJLGKB-UHFFFAOYSA-N
XLogP2.66
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluoro-3-methoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 82991384
(1S)-N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 81409770
(1R)-1-(3-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 81364970
N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 60858838
4-[1-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]-2-methoxyphenol
CID 107229768
N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine
CID 60858170
2-methoxy-4-[1-(2-phenylethylamino)ethyl]phenol
CID 43194110
2-methoxy-4-[1-(1H-pyrazol-5-ylmethylamino)ethyl]phenol
CID 61284476
2-methoxy-4-[1-(2-methoxyethylamino)ethyl]phenol
CID 43190162
2-methoxy-4-[1-(3-methylbutylamino)ethyl]phenol
CID 43193059
4-[1-[(2-bromo-5-fluorophenyl)methylamino]ethyl]-2-methoxyphenol
CID 61016537
(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 93316993

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]phenol?
The IUPAC name of 2-methoxy-4-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]phenol (CID 60857683) is 2-methoxy-4-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]phenol.
What is the SMILES notation for 2-methoxy-4-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]phenol?
The canonical SMILES for 2-methoxy-4-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]phenol is COc1cc(C(C)NCc2cccnc2OC)ccc1O.
What is the InChIKey of 2-methoxy-4-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]phenol?
The InChIKey is HVUKXPGZDJLGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11(12-6-7-14(19)15(9-12)20-2)18-10-13-5-4-8-17-16(13)21-3/h4-9,11,18-19H,10H2,1-3H3.
What are the key properties of 2-methoxy-4-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]phenol?
2-methoxy-4-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]phenol has a molecular weight of 288.35 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]phenol is sourced from PubChem (CID 60857683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).