2-methoxy-6-[[methyl(1-pyridin-4-ylethyl)amino]methyl]phenol

C16H20N2O2 — CID 50955558

IUPAC2-methoxy-6-[[methyl(1-pyridin-4-ylethyl)amino]methyl]phenol
SMILESCOc1cccc(CN(C)C(C)c2ccncc2)c1O
InChIInChI=1S/C16H20N2O2/c1-12(13-7-9-17-10-8-13)18(2)11-14-5-4-6-15(20-3)16(14)19/h4-10,12,19H,11H2,1-3H3
InChIKeyJSBWVDDTUJCSMP-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.99
Rot. Bonds5

About 2-methoxy-6-[[methyl(1-pyridin-4-ylethyl)amino]methyl]phenol

2-methoxy-6-[[methyl(1-pyridin-4-ylethyl)amino]methyl]phenol (PubChem CID 50955558) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-methoxy-6-[[methyl(1-pyridin-4-ylethyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[methyl(1-pyridin-4-ylethyl)amino]methyl]phenol
PubChem CID50955558
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-methoxy-6-[[methyl(1-pyridin-4-ylethyl)amino]methyl]phenol
SMILESCOc1cccc(CN(C)C(C)c2ccncc2)c1O
InChIInChI=1S/C16H20N2O2/c1-12(13-7-9-17-10-8-13)18(2)11-14-5-4-6-15(20-3)16(14)19/h4-10,12,19H,11H2,1-3H3
InChIKeyJSBWVDDTUJCSMP-UHFFFAOYSA-N
XLogP2.99
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methyl-1-pyridin-4-ylethanamine
CID 131892899
(1R)-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-N-methyl-1-pyridin-4-ylethanamine
CID 95122713
2-methoxy-6-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol
CID 82983294
2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]acetic acid
CID 65056423
2-[[3-(diethylamino)propyl-ethylamino]methyl]-6-methoxyphenol
CID 102999106
2-[[cyclopentyl(methyl)amino]methyl]-6-methoxyphenol
CID 82974737
2-ethoxy-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol
CID 82982222
2-methoxy-6-(2-sulfanylpropyl)phenol
CID 137432074
1-[(2-methoxyphenyl)methyl-methylamino]ethanol
CID 67668408
2-methoxy-6-[[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]methyl]phenol
CID 50970463
2-methoxy-6-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]phenol
CID 28655237
2-methoxy-6-[(2-pyridin-4-ylethylamino)methyl]phenol
CID 54943974

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[methyl(1-pyridin-4-ylethyl)amino]methyl]phenol?
The IUPAC name of 2-methoxy-6-[[methyl(1-pyridin-4-ylethyl)amino]methyl]phenol (CID 50955558) is 2-methoxy-6-[[methyl(1-pyridin-4-ylethyl)amino]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[methyl(1-pyridin-4-ylethyl)amino]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[[methyl(1-pyridin-4-ylethyl)amino]methyl]phenol is COc1cccc(CN(C)C(C)c2ccncc2)c1O.
What is the InChIKey of 2-methoxy-6-[[methyl(1-pyridin-4-ylethyl)amino]methyl]phenol?
The InChIKey is JSBWVDDTUJCSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12(13-7-9-17-10-8-13)18(2)11-14-5-4-6-15(20-3)16(14)19/h4-10,12,19H,11H2,1-3H3.
What are the key properties of 2-methoxy-6-[[methyl(1-pyridin-4-ylethyl)amino]methyl]phenol?
2-methoxy-6-[[methyl(1-pyridin-4-ylethyl)amino]methyl]phenol has a molecular weight of 272.35 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[methyl(1-pyridin-4-ylethyl)amino]methyl]phenol is sourced from PubChem (CID 50955558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).