2-[2-[(4,5-dimethoxy-2-phenylphenyl)methylamino]ethoxy]ethanol

C19H25NO4 — CID 119111857

IUPAC2-[2-[(4,5-dimethoxy-2-phenylphenyl)methylamino]ethoxy]ethanol
SMILESCOc1cc(CNCCOCCO)c(-c2ccccc2)cc1OC
InChIInChI=1S/C19H25NO4/c1-22-18-12-16(14-20-8-10-24-11-9-21)17(13-19(18)23-2)15-6-4-3-5-7-15/h3-7,12-13,20-21H,8-11,14H2,1-2H3
InChIKeyVIBJAPOUMWSNRD-UHFFFAOYSA-N
MW331.41 g/mol
LogP2.47
Rot. Bonds10

About 2-[2-[(4,5-dimethoxy-2-phenylphenyl)methylamino]ethoxy]ethanol

2-[2-[(4,5-dimethoxy-2-phenylphenyl)methylamino]ethoxy]ethanol (PubChem CID 119111857) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 2-[2-[(4,5-dimethoxy-2-phenylphenyl)methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(4,5-dimethoxy-2-phenylphenyl)methylamino]ethoxy]ethanol
PubChem CID119111857
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name2-[2-[(4,5-dimethoxy-2-phenylphenyl)methylamino]ethoxy]ethanol
SMILESCOc1cc(CNCCOCCO)c(-c2ccccc2)cc1OC
InChIInChI=1S/C19H25NO4/c1-22-18-12-16(14-20-8-10-24-11-9-21)17(13-19(18)23-2)15-6-4-3-5-7-15/h3-7,12-13,20-21H,8-11,14H2,1-2H3
InChIKeyVIBJAPOUMWSNRD-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3-methoxypropan-1-amine
CID 119110830
2-[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]ethoxy]ethanol
CID 43220975
2-[2-[(3-phenylphenyl)methylamino]ethoxy]ethanol
CID 110929290
N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 119127608
2-[2-[[2-[2-[2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethoxy]ethoxy]ethylamino]methyl]phenoxy]ethanol
CID 102444898
1-(4,5-dimethoxy-2-phenylphenyl)-N,N-dimethylmethanamine
CID 162400127
N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 119110843
4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2,6-dimethoxyphenol
CID 28727979
2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]ethanol
CID 17155563
2-[2-(benzylamino)ethoxy]ethanol;hydrochloride
CID 17155122
2-[2-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol
CID 66535164
2-[[2-(2-hydroxyethoxy)ethylamino]methyl]benzoic acid
CID 17156841

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4,5-dimethoxy-2-phenylphenyl)methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(4,5-dimethoxy-2-phenylphenyl)methylamino]ethoxy]ethanol (CID 119111857) is 2-[2-[(4,5-dimethoxy-2-phenylphenyl)methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(4,5-dimethoxy-2-phenylphenyl)methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(4,5-dimethoxy-2-phenylphenyl)methylamino]ethoxy]ethanol is COc1cc(CNCCOCCO)c(-c2ccccc2)cc1OC.
What is the InChIKey of 2-[2-[(4,5-dimethoxy-2-phenylphenyl)methylamino]ethoxy]ethanol?
The InChIKey is VIBJAPOUMWSNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-22-18-12-16(14-20-8-10-24-11-9-21)17(13-19(18)23-2)15-6-4-3-5-7-15/h3-7,12-13,20-21H,8-11,14H2,1-2H3.
What are the key properties of 2-[2-[(4,5-dimethoxy-2-phenylphenyl)methylamino]ethoxy]ethanol?
2-[2-[(4,5-dimethoxy-2-phenylphenyl)methylamino]ethoxy]ethanol has a molecular weight of 331.41 g/mol, XLogP of 2.47, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4,5-dimethoxy-2-phenylphenyl)methylamino]ethoxy]ethanol is sourced from PubChem (CID 119111857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).