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

C19H25NO4 — CID 29228432

IUPAC2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol
SMILESCCOc1cc(CNCc2ccc(OC)cc2)ccc1OCCO
InChIInChI=1S/C19H25NO4/c1-3-23-19-12-16(6-9-18(19)24-11-10-21)14-20-13-15-4-7-17(22-2)8-5-15/h4-9,12,20-21H,3,10-11,13-14H2,1-2H3
InChIKeyCDXLQGNKEZPVFA-UHFFFAOYSA-N
MW331.41 g/mol
LogP2.75
Rot. Bonds10

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

2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol (PubChem CID 29228432) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol
PubChem CID29228432
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol
SMILESCCOc1cc(CNCc2ccc(OC)cc2)ccc1OCCO
InChIInChI=1S/C19H25NO4/c1-3-23-19-12-16(6-9-18(19)24-11-10-21)14-20-13-15-4-7-17(22-2)8-5-15/h4-9,12,20-21H,3,10-11,13-14H2,1-2H3
InChIKeyCDXLQGNKEZPVFA-UHFFFAOYSA-N
XLogP2.75
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 17055041
2-[(3,4-diethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17291954
N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-ethoxyphenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 17055903
2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]-N-phenylacetamide
CID 30610439
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
4-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]butan-1-ol
CID 63056902
1-[(3-ethoxy-4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine
CID 111781846
2-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethoxy]ethanol
CID 29227627
2-[4-[[3-(dibutylamino)propylamino]methyl]-2-ethoxyphenoxy]ethanol
CID 29242019
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 737219
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 2995338
2-[(3-ethoxy-4-pentoxyphenyl)methylamino]ethanol
CID 92921241

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol?
The IUPAC name of 2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol (CID 29228432) is 2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol is CCOc1cc(CNCc2ccc(OC)cc2)ccc1OCCO.
What is the InChIKey of 2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol?
The InChIKey is CDXLQGNKEZPVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-3-23-19-12-16(6-9-18(19)24-11-10-21)14-20-13-15-4-7-17(22-2)8-5-15/h4-9,12,20-21H,3,10-11,13-14H2,1-2H3.
What are the key properties of 2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol?
2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol has a molecular weight of 331.41 g/mol, XLogP of 2.75, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol is sourced from PubChem (CID 29228432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).