3-[[(2-methoxy-1-pyridin-2-ylethyl)-methylamino]methyl]phenol

C16H20N2O2 — CID 131894922

IUPAC3-[[(2-methoxy-1-pyridin-2-ylethyl)-methylamino]methyl]phenol
SMILESCOCC(c1ccccn1)N(C)Cc1cccc(O)c1
InChIInChI=1S/C16H20N2O2/c1-18(11-13-6-5-7-14(19)10-13)16(12-20-2)15-8-3-4-9-17-15/h3-10,16,19H,11-12H2,1-2H3
InChIKeyQSDUHKFZSKWWKA-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.61
Rot. Bonds6

About 3-[[(2-methoxy-1-pyridin-2-ylethyl)-methylamino]methyl]phenol

3-[[(2-methoxy-1-pyridin-2-ylethyl)-methylamino]methyl]phenol (PubChem CID 131894922) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[[(2-methoxy-1-pyridin-2-ylethyl)-methylamino]methyl]phenol.

Molecular Properties

Compound Name3-[[(2-methoxy-1-pyridin-2-ylethyl)-methylamino]methyl]phenol
PubChem CID131894922
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-[[(2-methoxy-1-pyridin-2-ylethyl)-methylamino]methyl]phenol
SMILESCOCC(c1ccccn1)N(C)Cc1cccc(O)c1
InChIInChI=1S/C16H20N2O2/c1-18(11-13-6-5-7-14(19)10-13)16(12-20-2)15-8-3-4-9-17-15/h3-10,16,19H,11-12H2,1-2H3
InChIKeyQSDUHKFZSKWWKA-UHFFFAOYSA-N
XLogP2.61
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-methoxy-N-methyl-N-[[3-(5-methylfuran-2-yl)phenyl]methyl]-1-pyridin-2-ylethanamine
CID 99936074
2-methoxy-N-methyl-1-pyridin-2-yl-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)ethanamine
CID 163319520
(1R)-2-methoxy-N-methyl-1-pyridin-2-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 124751761
N-(1H-imidazol-2-ylmethyl)-2-methoxy-N-methyl-1-pyridin-2-ylethanamine
CID 50957317
2-methoxy-N-methyl-N-(2-phenoxyethyl)-1-pyridin-2-ylethanamine
CID 91835024
(1R)-2-methoxy-N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 95710512
3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol
CID 22070428
(1S)-N-[(2-cyclopentyloxyphenyl)methyl]-2-methoxy-N-methyl-1-pyridin-2-ylethanamine
CID 99948017
(1S)-2-methoxy-N-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-ylethanamine
CID 125168599
2-[[(1R)-2-methoxy-1-pyridin-2-ylethyl]-methylamino]-1-morpholin-4-ylethanone
CID 124848970
methyl 3-[[methyl(1-pyridin-2-ylethyl)amino]methyl]benzoate
CID 56713563
N-[(4-methoxyphenyl)methyl]-N-methyl-1-pyridin-2-ylethane-1,2-diamine
CID 61419935

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-methoxy-1-pyridin-2-ylethyl)-methylamino]methyl]phenol?
The IUPAC name of 3-[[(2-methoxy-1-pyridin-2-ylethyl)-methylamino]methyl]phenol (CID 131894922) is 3-[[(2-methoxy-1-pyridin-2-ylethyl)-methylamino]methyl]phenol.
What is the SMILES notation for 3-[[(2-methoxy-1-pyridin-2-ylethyl)-methylamino]methyl]phenol?
The canonical SMILES for 3-[[(2-methoxy-1-pyridin-2-ylethyl)-methylamino]methyl]phenol is COCC(c1ccccn1)N(C)Cc1cccc(O)c1.
What is the InChIKey of 3-[[(2-methoxy-1-pyridin-2-ylethyl)-methylamino]methyl]phenol?
The InChIKey is QSDUHKFZSKWWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-18(11-13-6-5-7-14(19)10-13)16(12-20-2)15-8-3-4-9-17-15/h3-10,16,19H,11-12H2,1-2H3.
What are the key properties of 3-[[(2-methoxy-1-pyridin-2-ylethyl)-methylamino]methyl]phenol?
3-[[(2-methoxy-1-pyridin-2-ylethyl)-methylamino]methyl]phenol has a molecular weight of 272.35 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-methoxy-1-pyridin-2-ylethyl)-methylamino]methyl]phenol is sourced from PubChem (CID 131894922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).