2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol

C24H28N2O4 — CID 135971368

IUPAC2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol
SMILESCOc1cccc(-c2ccc(O)c(CN(C)CCc3ccc(OC)c(OC)c3)c2)n1
InChIInChI=1S/C24H28N2O4/c1-26(13-12-17-8-11-22(28-2)23(14-17)29-3)16-19-15-18(9-10-21(19)27)20-6-5-7-24(25-20)30-4/h5-11,14-15,27H,12-13,16H2,1-4H3
InChIKeyIXBZWKCMEKSGDW-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.15
Rot. Bonds9

About 2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol

2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol (PubChem CID 135971368) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol.

Molecular Properties

Compound Name2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol
PubChem CID135971368
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol
SMILESCOc1cccc(-c2ccc(O)c(CN(C)CCc3ccc(OC)c(OC)c3)c2)n1
InChIInChI=1S/C24H28N2O4/c1-26(13-12-17-8-11-22(28-2)23(14-17)29-3)16-19-15-18(9-10-21(19)27)20-6-5-7-24(25-20)30-4/h5-11,14-15,27H,12-13,16H2,1-4H3
InChIKeyIXBZWKCMEKSGDW-UHFFFAOYSA-N
XLogP4.15
TPSA64.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 70882
Columbamine
CID 72310
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CID 72323
Jatrorrhizine Chloride
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Stepharanine
CID 10358881
Juzirine
CID 3085285
Palaudine
CID 167736
Dehydroscoulerine
CID 14191590
2-Methoxy-5-[1-(2-methylquinolin-4-yl)ethenyl]phenol
CID 137660123
4-(6,7-Dimethoxy-1-methylisoquinolin-3-YL)benzene-1,3-diol
CID 928685
3-(3,4-Dimethoxyphenyl)-1-ethyl-6,7-dimethoxyisoquinoline
CID 1119276
4,4'-(2,3-Quinoxalinediyl)bis(2-methoxyphenol)
CID 1361650

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol?
The IUPAC name of 2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol (CID 135971368) is 2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol.
What is the SMILES notation for 2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol?
The canonical SMILES for 2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol is COc1cccc(-c2ccc(O)c(CN(C)CCc3ccc(OC)c(OC)c3)c2)n1.
What is the InChIKey of 2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol?
The InChIKey is IXBZWKCMEKSGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-26(13-12-17-8-11-22(28-2)23(14-17)29-3)16-19-15-18(9-10-21(19)27)20-6-5-7-24(25-20)30-4/h5-11,14-15,27H,12-13,16H2,1-4H3.
What are the key properties of 2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol?
2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol has a molecular weight of 408.50 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol is sourced from PubChem (CID 135971368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).