3-[[ethyl-[2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]methyl]-2-methoxyphenol

C19H25NO4 — CID 127031405

IUPAC3-[[ethyl-[2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]methyl]-2-methoxyphenol
SMILESCCN(CCc1ccc(O)c(OC)c1)Cc1cccc(O)c1OC
InChIInChI=1S/C19H25NO4/c1-4-20(13-15-6-5-7-17(22)19(15)24-3)11-10-14-8-9-16(21)18(12-14)23-2/h5-9,12,21-22H,4,10-11,13H2,1-3H3
InChIKeyGNLGMKYJFCVWMG-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.18
Rot. Bonds8

About 3-[[ethyl-[2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]methyl]-2-methoxyphenol

3-[[ethyl-[2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]methyl]-2-methoxyphenol (PubChem CID 127031405) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 3-[[ethyl-[2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name3-[[ethyl-[2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]methyl]-2-methoxyphenol
PubChem CID127031405
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name3-[[ethyl-[2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]methyl]-2-methoxyphenol
SMILESCCN(CCc1ccc(O)c(OC)c1)Cc1cccc(O)c1OC
InChIInChI=1S/C19H25NO4/c1-4-20(13-15-6-5-7-17(22)19(15)24-3)11-10-14-8-9-16(21)18(12-14)23-2/h5-9,12,21-22H,4,10-11,13H2,1-3H3
InChIKeyGNLGMKYJFCVWMG-UHFFFAOYSA-N
XLogP3.18
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl-[2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]methyl]-2-methoxyphenol?
The IUPAC name of 3-[[ethyl-[2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]methyl]-2-methoxyphenol (CID 127031405) is 3-[[ethyl-[2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]methyl]-2-methoxyphenol.
What is the SMILES notation for 3-[[ethyl-[2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]methyl]-2-methoxyphenol?
The canonical SMILES for 3-[[ethyl-[2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]methyl]-2-methoxyphenol is CCN(CCc1ccc(O)c(OC)c1)Cc1cccc(O)c1OC.
What is the InChIKey of 3-[[ethyl-[2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]methyl]-2-methoxyphenol?
The InChIKey is GNLGMKYJFCVWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-4-20(13-15-6-5-7-17(22)19(15)24-3)11-10-14-8-9-16(21)18(12-14)23-2/h5-9,12,21-22H,4,10-11,13H2,1-3H3.
What are the key properties of 3-[[ethyl-[2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]methyl]-2-methoxyphenol?
3-[[ethyl-[2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]methyl]-2-methoxyphenol has a molecular weight of 331.41 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl-[2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]methyl]-2-methoxyphenol is sourced from PubChem (CID 127031405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).