2-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol

C22H24N2O3 — CID 135971339

IUPAC2-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol
SMILESCOc1cccc(-c2ccc(O)c(CN(C)CC(O)c3ccccc3)c2)n1
InChIInChI=1S/C22H24N2O3/c1-24(15-21(26)16-7-4-3-5-8-16)14-18-13-17(11-12-20(18)25)19-9-6-10-22(23-19)27-2/h3-13,21,25-26H,14-15H2,1-2H3
InChIKeyWCYZNTRPZPRTFR-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.63
Rot. Bonds7

About 2-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol

2-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol (PubChem CID 135971339) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol.

Molecular Properties

Compound Name2-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol
PubChem CID135971339
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name2-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol
SMILESCOc1cccc(-c2ccc(O)c(CN(C)CC(O)c3ccccc3)c2)n1
InChIInChI=1S/C22H24N2O3/c1-24(15-21(26)16-7-4-3-5-8-16)14-18-13-17(11-12-20(18)25)19-9-6-10-22(23-19)27-2/h3-13,21,25-26H,14-15H2,1-2H3
InChIKeyWCYZNTRPZPRTFR-UHFFFAOYSA-N
XLogP3.63
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[cyclohexyl(methyl)amino]methyl]-4-(6-methoxy-2-pyridinyl)phenol
CID 135971341
2-[[(2-methoxyphenyl)methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol
CID 135971351
5-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-2-methoxyphenol
CID 13248722
2-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl-methylamino]-1-phenylethanol
CID 45197233
4-(6-methoxy-2-pyridinyl)-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol
CID 136666322
2-[[2-(3-chlorophenyl)ethylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol
CID 136967884
3-(6-methoxy-2-pyridinyl)-1-phenylpropan-1-ol
CID 79423728
(1R)-2-[(2,4-dichlorophenyl)methyl-methylamino]-1-phenylethanol
CID 30980110
4-[2-[benzyl(methyl)amino]-1-hydroxyethyl]benzene-1,2-diol
CID 22005903
(1S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-(3-methoxyphenyl)ethanol
CID 95628605
2-[(3-chloro-4-methoxyphenyl)methyl-methylamino]-1-phenylethanol
CID 20766059
(1R)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]methyl-methylamino]-1-phenylethanol
CID 25377060

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol?
The IUPAC name of 2-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol (CID 135971339) is 2-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol.
What is the SMILES notation for 2-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol?
The canonical SMILES for 2-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol is COc1cccc(-c2ccc(O)c(CN(C)CC(O)c3ccccc3)c2)n1.
What is the InChIKey of 2-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol?
The InChIKey is WCYZNTRPZPRTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-24(15-21(26)16-7-4-3-5-8-16)14-18-13-17(11-12-20(18)25)19-9-6-10-22(23-19)27-2/h3-13,21,25-26H,14-15H2,1-2H3.
What are the key properties of 2-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol?
2-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol has a molecular weight of 364.45 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol is sourced from PubChem (CID 135971339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).