2-[2-methoxy-4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]ethanol

C18H23NO4 — CID 17208366

IUPAC2-[2-methoxy-4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]ethanol
SMILESCOc1ccccc1CNCc1ccc(OCCO)c(OC)c1
InChIInChI=1S/C18H23NO4/c1-21-16-6-4-3-5-15(16)13-19-12-14-7-8-17(23-10-9-20)18(11-14)22-2/h3-8,11,19-20H,9-10,12-13H2,1-2H3
InChIKeyLDDHRFQVFMBTLO-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.36
Rot. Bonds9

About 2-[2-methoxy-4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]ethanol

2-[2-methoxy-4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]ethanol (PubChem CID 17208366) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[2-methoxy-4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-methoxy-4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]ethanol
PubChem CID17208366
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name2-[2-methoxy-4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]ethanol
SMILESCOc1ccccc1CNCc1ccc(OCCO)c(OC)c1
InChIInChI=1S/C18H23NO4/c1-21-16-6-4-3-5-15(16)13-19-12-14-7-8-17(23-10-9-20)18(11-14)22-2/h3-8,11,19-20H,9-10,12-13H2,1-2H3
InChIKeyLDDHRFQVFMBTLO-UHFFFAOYSA-N
XLogP2.36
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol
CID 111467324
1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208030
2-[4-[(furan-2-ylmethylamino)methyl]-2-methoxyphenoxy]ethanol;hydrochloride
CID 17213191
2-[2-methoxy-4-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenoxy]ethanol
CID 110897097
3-[[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylamino]methyl]benzoic acid
CID 122030518
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208191
2-[2-[[(4-chlorophenyl)methylamino]methyl]phenoxy]ethanol
CID 111457786
1-(4-heptoxy-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 54803633
2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]ethanol;hydrochloride
CID 17333168
1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 119106543
ethanol;1-ethoxy-4-ethyl-2-methoxybenzene;2-(2-methoxyphenoxy)ethanol
CID 145133787
2-[(3-methoxy-4-propoxyphenyl)methylamino]ethanol
CID 29225754

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]ethanol?
The IUPAC name of 2-[2-methoxy-4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]ethanol (CID 17208366) is 2-[2-methoxy-4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-methoxy-4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-methoxy-4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]ethanol is COc1ccccc1CNCc1ccc(OCCO)c(OC)c1.
What is the InChIKey of 2-[2-methoxy-4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]ethanol?
The InChIKey is LDDHRFQVFMBTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-21-16-6-4-3-5-15(16)13-19-12-14-7-8-17(23-10-9-20)18(11-14)22-2/h3-8,11,19-20H,9-10,12-13H2,1-2H3.
What are the key properties of 2-[2-methoxy-4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]ethanol?
2-[2-methoxy-4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]ethanol has a molecular weight of 317.39 g/mol, XLogP of 2.36, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]ethanol is sourced from PubChem (CID 17208366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).