2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]ethanol

C14H21NO2 — CID 115631911

IUPAC2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)CCc1ccc(OC)cc1
InChIInChI=1S/C14H21NO2/c1-3-9-15(11-12-16)10-8-13-4-6-14(17-2)7-5-13/h3-7,16H,1,8-12H2,2H3
InChIKeyQMIRGXINFUPSSO-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.72
Rot. Bonds8

About 2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]ethanol

2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]ethanol (PubChem CID 115631911) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]ethanol
PubChem CID115631911
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)CCc1ccc(OC)cc1
InChIInChI=1S/C14H21NO2/c1-3-9-15(11-12-16)10-8-13-4-6-14(17-2)7-5-13/h3-7,16H,1,8-12H2,2H3
InChIKeyQMIRGXINFUPSSO-UHFFFAOYSA-N
XLogP1.72
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]propanoic acid
CID 82327972
ethyl 2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]acetate
CID 78977811
4-[2-[2-(3-methoxyphenyl)ethyl-prop-2-enylamino]ethyl]phenol
CID 122589914
2-[(2-chloro-4-methoxyphenyl)methyl-prop-2-enylamino]ethanol
CID 111824360
2-[[4-(difluoromethoxy)phenyl]methyl-prop-2-enylamino]ethanol
CID 111423289
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl-prop-2-enylamino]ethanol
CID 111423799
2-[prop-2-enyl(2-pyridin-3-ylethyl)amino]ethanol
CID 115631710
N-(2-hydroxyethyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 115622115
(NE)-N-[1-[(4-methoxyphenyl)methyl-prop-2-enylamino]propan-2-ylidene]hydroxylamine
CID 155315601
2-[(2-methoxyphenyl)methyl-prop-2-enylamino]ethanol
CID 115610796
2-[2-hydroxyethyl(prop-2-enyl)amino]-1-(3-methoxyphenyl)ethanol
CID 113237463
2-[3-(4-fluorophenoxy)propyl-prop-2-enylamino]ethanol
CID 115631794

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]ethanol?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]ethanol (CID 115631911) is 2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]ethanol is C=CCN(CCO)CCc1ccc(OC)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]ethanol?
The InChIKey is QMIRGXINFUPSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-9-15(11-12-16)10-8-13-4-6-14(17-2)7-5-13/h3-7,16H,1,8-12H2,2H3.
What are the key properties of 2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]ethanol?
2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]ethanol has a molecular weight of 235.33 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]ethanol is sourced from PubChem (CID 115631911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).