2-[2-(2-methoxyethoxy)-4-(methylamino)-5-prop-1-en-2-ylphenoxy]ethanol

C15H23NO4 — CID 143647642

IUPAC2-[2-(2-methoxyethoxy)-4-(methylamino)-5-prop-1-en-2-ylphenoxy]ethanol
SMILESC=C(C)c1cc(OCCO)c(OCCOC)cc1NC
InChIInChI=1S/C15H23NO4/c1-11(2)12-9-14(19-6-5-17)15(10-13(12)16-3)20-8-7-18-4/h9-10,16-17H,1,5-8H2,2-4H3
InChIKeyULHORCJTHQSIQN-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.16
Rot. Bonds9

About 2-[2-(2-methoxyethoxy)-4-(methylamino)-5-prop-1-en-2-ylphenoxy]ethanol

2-[2-(2-methoxyethoxy)-4-(methylamino)-5-prop-1-en-2-ylphenoxy]ethanol (PubChem CID 143647642) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)-4-(methylamino)-5-prop-1-en-2-ylphenoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)-4-(methylamino)-5-prop-1-en-2-ylphenoxy]ethanol
PubChem CID143647642
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-[2-(2-methoxyethoxy)-4-(methylamino)-5-prop-1-en-2-ylphenoxy]ethanol
SMILESC=C(C)c1cc(OCCO)c(OCCOC)cc1NC
InChIInChI=1S/C15H23NO4/c1-11(2)12-9-14(19-6-5-17)15(10-13(12)16-3)20-8-7-18-4/h9-10,16-17H,1,5-8H2,2-4H3
InChIKeyULHORCJTHQSIQN-UHFFFAOYSA-N
XLogP2.16
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,5-bis(2-methoxyethoxy)-2-(methylamino)benzenecarboximidoyl chloride
CID 88938441
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4,5-dimethylphenoxy]ethoxy]ethoxy]ethanol
CID 59950660
dimethyl 4-methoxy-5-(2-methoxyethoxy)benzene-1,2-dicarboxylate
CID 59569387
2-(4-iodo-2-prop-1-en-2-ylphenoxy)ethanol
CID 69060853
2-(2,2-dimethylpropanoylamino)-4,5-bis(2-methoxyethoxy)benzoic acid
CID 141326742
1-[2-amino-5-methoxy-4-(2-methoxyethoxy)phenyl]ethanone
CID 10823895
ethyl 2-(carbamothioylamino)-4,5-bis(2-methoxyethoxy)benzoate
CID 169356168
2-[5-amino-2-(2-methoxyethoxy)anilino]ethanol
CID 57176639
5-[2-[4-carboxy-2-methoxy-5-(methylamino)phenoxy]ethyl]-4-chloro-2-(methylamino)benzoic acid
CID 162752140
methyl 2-amino-5-methoxy-4-(2-methoxyethoxy)benzoate
CID 66876535
methyl 4-[2-ethoxycarbonyl-4,5-bis(2-methoxyethoxy)anilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168562929
4-(ethylamino)-3-(2-hydroxyethoxy)-N-methylbenzamide
CID 135296117

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)-4-(methylamino)-5-prop-1-en-2-ylphenoxy]ethanol?
The IUPAC name of 2-[2-(2-methoxyethoxy)-4-(methylamino)-5-prop-1-en-2-ylphenoxy]ethanol (CID 143647642) is 2-[2-(2-methoxyethoxy)-4-(methylamino)-5-prop-1-en-2-ylphenoxy]ethanol.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)-4-(methylamino)-5-prop-1-en-2-ylphenoxy]ethanol?
The canonical SMILES for 2-[2-(2-methoxyethoxy)-4-(methylamino)-5-prop-1-en-2-ylphenoxy]ethanol is C=C(C)c1cc(OCCO)c(OCCOC)cc1NC.
What is the InChIKey of 2-[2-(2-methoxyethoxy)-4-(methylamino)-5-prop-1-en-2-ylphenoxy]ethanol?
The InChIKey is ULHORCJTHQSIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-11(2)12-9-14(19-6-5-17)15(10-13(12)16-3)20-8-7-18-4/h9-10,16-17H,1,5-8H2,2-4H3.
What are the key properties of 2-[2-(2-methoxyethoxy)-4-(methylamino)-5-prop-1-en-2-ylphenoxy]ethanol?
2-[2-(2-methoxyethoxy)-4-(methylamino)-5-prop-1-en-2-ylphenoxy]ethanol has a molecular weight of 281.35 g/mol, XLogP of 2.16, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)-4-(methylamino)-5-prop-1-en-2-ylphenoxy]ethanol is sourced from PubChem (CID 143647642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).