2-[(2-ethenyl-5-methoxyphenyl)methyl-methylamino]ethanol

C13H19NO2 — CID 15154905

IUPAC2-[(2-ethenyl-5-methoxyphenyl)methyl-methylamino]ethanol
SMILESC=Cc1ccc(OC)cc1CN(C)CCO
InChIInChI=1S/C13H19NO2/c1-4-11-5-6-13(16-3)9-12(11)10-14(2)7-8-15/h4-6,9,15H,1,7-8,10H2,2-3H3
InChIKeyRJPXVSYJSGBMTP-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.76
Rot. Bonds6

About 2-[(2-ethenyl-5-methoxyphenyl)methyl-methylamino]ethanol

2-[(2-ethenyl-5-methoxyphenyl)methyl-methylamino]ethanol (PubChem CID 15154905) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[(2-ethenyl-5-methoxyphenyl)methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[(2-ethenyl-5-methoxyphenyl)methyl-methylamino]ethanol
PubChem CID15154905
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[(2-ethenyl-5-methoxyphenyl)methyl-methylamino]ethanol
SMILESC=Cc1ccc(OC)cc1CN(C)CCO
InChIInChI=1S/C13H19NO2/c1-4-11-5-6-13(16-3)9-12(11)10-14(2)7-8-15/h4-6,9,15H,1,7-8,10H2,2-3H3
InChIKeyRJPXVSYJSGBMTP-UHFFFAOYSA-N
XLogP1.76
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxyphenol
CID 14295123
4-methoxy-2-[[methyl(propyl)amino]methyl]phenol
CID 82977818
1-ethenyl-2-(3-iodopropyl)-4-methoxybenzene
CID 66808178
2-ethenyl-5-methoxy-N,N-dimethylaniline
CID 170076614
2-[methyl-[(2,4,5-trimethoxyphenyl)methyl]amino]ethanol
CID 112683473
N'-[(2-amino-5-methoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 115414152
2-(3-chlorobutyl)-1-ethenyl-4-methoxybenzene
CID 66808234
3-[2-[[2,2-dimethylpropyl(methyl)amino]methyl]-4-methoxyphenyl]prop-2-enoic acid
CID 77065435
2-[(dimethylamino)methyl]-4-methoxybenzaldehyde;(3Z)-penta-1,3-diene
CID 143510544
2-[(2-chloro-4-methoxyphenyl)methyl-prop-2-enylamino]ethanol
CID 111824360
2-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenol
CID 82983680
2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]ethanol
CID 115613643

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethenyl-5-methoxyphenyl)methyl-methylamino]ethanol?
The IUPAC name of 2-[(2-ethenyl-5-methoxyphenyl)methyl-methylamino]ethanol (CID 15154905) is 2-[(2-ethenyl-5-methoxyphenyl)methyl-methylamino]ethanol.
What is the SMILES notation for 2-[(2-ethenyl-5-methoxyphenyl)methyl-methylamino]ethanol?
The canonical SMILES for 2-[(2-ethenyl-5-methoxyphenyl)methyl-methylamino]ethanol is C=Cc1ccc(OC)cc1CN(C)CCO.
What is the InChIKey of 2-[(2-ethenyl-5-methoxyphenyl)methyl-methylamino]ethanol?
The InChIKey is RJPXVSYJSGBMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-11-5-6-13(16-3)9-12(11)10-14(2)7-8-15/h4-6,9,15H,1,7-8,10H2,2-3H3.
What are the key properties of 2-[(2-ethenyl-5-methoxyphenyl)methyl-methylamino]ethanol?
2-[(2-ethenyl-5-methoxyphenyl)methyl-methylamino]ethanol has a molecular weight of 221.30 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethenyl-5-methoxyphenyl)methyl-methylamino]ethanol is sourced from PubChem (CID 15154905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).