2-[(2-methoxyphenyl)methyl-prop-2-enylamino]ethanol

C13H19NO2 — CID 115610796

IUPAC2-[(2-methoxyphenyl)methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)Cc1ccccc1OC
InChIInChI=1S/C13H19NO2/c1-3-8-14(9-10-15)11-12-6-4-5-7-13(12)16-2/h3-7,15H,1,8-11H2,2H3
InChIKeyHCKBMBRFWZHWKR-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.68
Rot. Bonds7

About 2-[(2-methoxyphenyl)methyl-prop-2-enylamino]ethanol

2-[(2-methoxyphenyl)methyl-prop-2-enylamino]ethanol (PubChem CID 115610796) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl-prop-2-enylamino]ethanol
PubChem CID115610796
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[(2-methoxyphenyl)methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)Cc1ccccc1OC
InChIInChI=1S/C13H19NO2/c1-3-8-14(9-10-15)11-12-6-4-5-7-13(12)16-2/h3-7,15H,1,8-11H2,2H3
InChIKeyHCKBMBRFWZHWKR-UHFFFAOYSA-N
XLogP1.68
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.68
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

2-[(2-methylphenyl)methyl-prop-2-enylamino]ethanol
CID 111423251
2-[(2-methoxyphenyl)methyl-(2-phenylethyl)amino]ethanol
CID 110932203
2-[but-2-ynyl-[(2-methoxyphenyl)methyl]amino]ethanol
CID 111461930
2-[(4-fluorophenyl)methyl-[(2-methoxyphenyl)methyl]amino]ethanol
CID 110932160
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 54875824
N-[(2-methoxyphenyl)methyl]-N-(quinolin-2-ylmethyl)prop-2-en-1-amine
CID 46995623
1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-prop-2-enylurea
CID 110901111
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 79279066
2-[(2-chloro-4-methoxyphenyl)methyl-prop-2-enylamino]ethanol
CID 111824360
2-[(5-methoxythiophen-2-yl)methyl-prop-2-enylamino]ethanol
CID 115883253
2-[(5-chloro-1-methylimidazol-2-yl)methyl-[(2-methoxyphenyl)methyl]amino]ethanol
CID 110932185
N-[[2-(ethylaminomethyl)phenyl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine
CID 103340228

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl-prop-2-enylamino]ethanol?
The IUPAC name of 2-[(2-methoxyphenyl)methyl-prop-2-enylamino]ethanol (CID 115610796) is 2-[(2-methoxyphenyl)methyl-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl-prop-2-enylamino]ethanol is C=CCN(CCO)Cc1ccccc1OC.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl-prop-2-enylamino]ethanol?
The InChIKey is HCKBMBRFWZHWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-8-14(9-10-15)11-12-6-4-5-7-13(12)16-2/h3-7,15H,1,8-11H2,2H3.
What are the key properties of 2-[(2-methoxyphenyl)methyl-prop-2-enylamino]ethanol?
2-[(2-methoxyphenyl)methyl-prop-2-enylamino]ethanol has a molecular weight of 221.30 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl-prop-2-enylamino]ethanol is sourced from PubChem (CID 115610796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).