2-[3-phenoxypropyl(prop-2-enyl)amino]ethanol

C14H21NO2 — CID 113237465

IUPAC2-[3-phenoxypropyl(prop-2-enyl)amino]ethanol
SMILESC=CCN(CCO)CCCOc1ccccc1
InChIInChI=1S/C14H21NO2/c1-2-9-15(11-12-16)10-6-13-17-14-7-4-3-5-8-14/h2-5,7-8,16H,1,6,9-13H2
InChIKeyZKOKOROPXPYXNM-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.94
Rot. Bonds9

About 2-[3-phenoxypropyl(prop-2-enyl)amino]ethanol

2-[3-phenoxypropyl(prop-2-enyl)amino]ethanol (PubChem CID 113237465) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[3-phenoxypropyl(prop-2-enyl)amino]ethanol.

Molecular Properties

Compound Name2-[3-phenoxypropyl(prop-2-enyl)amino]ethanol
PubChem CID113237465
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[3-phenoxypropyl(prop-2-enyl)amino]ethanol
SMILESC=CCN(CCO)CCCOc1ccccc1
InChIInChI=1S/C14H21NO2/c1-2-9-15(11-12-16)10-6-13-17-14-7-4-3-5-8-14/h2-5,7-8,16H,1,6,9-13H2
InChIKeyZKOKOROPXPYXNM-UHFFFAOYSA-N
XLogP1.94
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-fluorophenoxy)propyl-prop-2-enylamino]ethanol
CID 115631794
N-methyl-4-phenoxy-N-prop-2-enylbutan-1-amine
CID 141046921
2-[3-(4-chlorophenoxy)propyl-prop-2-enylamino]acetic acid
CID 79275482
N-[2-(2-phenoxyphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine
CID 70501198
2-[2-hydroxyethyl-[4-[4-(2-phenylethyl)phenoxy]butyl]amino]ethanol
CID 20544935
2-[carboxymethyl(3-phenoxypropyl)amino]acetic acid
CID 63644970
N-ethyl-4-phenoxy-N-prop-2-enylbutanamide
CID 84558793
2-[2-(benzenesulfonyl)ethyl-prop-2-enylamino]ethanol
CID 111423426
[4-[3-[ethyl(2-hydroxyethyl)amino]propoxy]phenyl]-phenylmethanone
CID 58184911
2-[prop-2-enyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethanol
CID 115633472
4-(3-methylphenoxy)-N,N-bis(prop-2-enyl)butan-1-amine
CID 2267298
ethyl 3-[4-(4-benzylphenoxy)butyl-prop-2-enylamino]propanoate
CID 23553361

Frequently Asked Questions

What is the IUPAC name of 2-[3-phenoxypropyl(prop-2-enyl)amino]ethanol?
The IUPAC name of 2-[3-phenoxypropyl(prop-2-enyl)amino]ethanol (CID 113237465) is 2-[3-phenoxypropyl(prop-2-enyl)amino]ethanol.
What is the SMILES notation for 2-[3-phenoxypropyl(prop-2-enyl)amino]ethanol?
The canonical SMILES for 2-[3-phenoxypropyl(prop-2-enyl)amino]ethanol is C=CCN(CCO)CCCOc1ccccc1.
What is the InChIKey of 2-[3-phenoxypropyl(prop-2-enyl)amino]ethanol?
The InChIKey is ZKOKOROPXPYXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-9-15(11-12-16)10-6-13-17-14-7-4-3-5-8-14/h2-5,7-8,16H,1,6,9-13H2.
What are the key properties of 2-[3-phenoxypropyl(prop-2-enyl)amino]ethanol?
2-[3-phenoxypropyl(prop-2-enyl)amino]ethanol has a molecular weight of 235.33 g/mol, XLogP of 1.94, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-phenoxypropyl(prop-2-enyl)amino]ethanol is sourced from PubChem (CID 113237465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).