2-[[4-methoxy-3-(2-phenoxyethoxy)phenyl]methylamino]ethanol

C18H23NO4 — CID 92928810

IUPAC2-[[4-methoxy-3-(2-phenoxyethoxy)phenyl]methylamino]ethanol
SMILESCOc1ccc(CNCCO)cc1OCCOc1ccccc1
InChIInChI=1S/C18H23NO4/c1-21-17-8-7-15(14-19-9-10-20)13-18(17)23-12-11-22-16-5-3-2-4-6-16/h2-8,13,19-20H,9-12,14H2,1H3
InChIKeyGWIUTSJGWQJDJB-UHFFFAOYSA-N
MW317.38 g/mol
LogP2.23
Rot. Bonds10

About 2-[[4-methoxy-3-(2-phenoxyethoxy)phenyl]methylamino]ethanol

2-[[4-methoxy-3-(2-phenoxyethoxy)phenyl]methylamino]ethanol (PubChem CID 92928810) has the molecular formula C18H23NO4 and a molecular weight of 317.38 g/mol. Its IUPAC name is 2-[[4-methoxy-3-(2-phenoxyethoxy)phenyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[4-methoxy-3-(2-phenoxyethoxy)phenyl]methylamino]ethanol
PubChem CID92928810
Molecular FormulaC18H23NO4
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Name2-[[4-methoxy-3-(2-phenoxyethoxy)phenyl]methylamino]ethanol
SMILESCOc1ccc(CNCCO)cc1OCCOc1ccccc1
InChIInChI=1S/C18H23NO4/c1-21-17-8-7-15(14-19-9-10-20)13-18(17)23-12-11-22-16-5-3-2-4-6-16/h2-8,13,19-20H,9-12,14H2,1H3
InChIKeyGWIUTSJGWQJDJB-UHFFFAOYSA-N
XLogP2.23
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 52.23
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

2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]ethanol;hydrochloride
CID 17333168
2-[(3-methoxy-4-propoxyphenyl)methylamino]ethanol
CID 29225754
2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylamino]ethanol
CID 110878918
N-[(3-chloro-4-methoxyphenyl)methyl]-2-phenoxyethanamine
CID 65021766
N-[(3-chloro-4-methoxyphenyl)methyl]-3-phenoxypropan-1-amine
CID 65021861
2-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylamino]ethanol
CID 92925113
2-[4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]phenoxy]ethanol;hydrochloride
CID 17213243
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyethyl)urea
CID 38223348
2-methoxy-4-[(2-phenoxyethylamino)methyl]benzonitrile
CID 106787317
1-[benzyl(methyl)amino]-3-[2-methoxy-5-[(2-phenoxyethylamino)methyl]phenoxy]propan-2-ol
CID 45242008
2-[(3,4-diethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17291954
N-[(4-methoxy-3-nitrophenyl)methyl]-3-phenoxypropan-1-amine
CID 119126588

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methoxy-3-(2-phenoxyethoxy)phenyl]methylamino]ethanol?
The IUPAC name of 2-[[4-methoxy-3-(2-phenoxyethoxy)phenyl]methylamino]ethanol (CID 92928810) is 2-[[4-methoxy-3-(2-phenoxyethoxy)phenyl]methylamino]ethanol.
What is the SMILES notation for 2-[[4-methoxy-3-(2-phenoxyethoxy)phenyl]methylamino]ethanol?
The canonical SMILES for 2-[[4-methoxy-3-(2-phenoxyethoxy)phenyl]methylamino]ethanol is COc1ccc(CNCCO)cc1OCCOc1ccccc1.
What is the InChIKey of 2-[[4-methoxy-3-(2-phenoxyethoxy)phenyl]methylamino]ethanol?
The InChIKey is GWIUTSJGWQJDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-21-17-8-7-15(14-19-9-10-20)13-18(17)23-12-11-22-16-5-3-2-4-6-16/h2-8,13,19-20H,9-12,14H2,1H3.
What are the key properties of 2-[[4-methoxy-3-(2-phenoxyethoxy)phenyl]methylamino]ethanol?
2-[[4-methoxy-3-(2-phenoxyethoxy)phenyl]methylamino]ethanol has a molecular weight of 317.38 g/mol, XLogP of 2.23, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methoxy-3-(2-phenoxyethoxy)phenyl]methylamino]ethanol is sourced from PubChem (CID 92928810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).