2-hydroxyethyl-dimethyl-(3-phenylprop-2-enyl)azanium

C13H20NO+ — CID 57155174

IUPAC2-hydroxyethyl-dimethyl-(3-phenylprop-2-enyl)azanium
SMILESC[N+](C)(CC=Cc1ccccc1)CCO
InChIInChI=1S/C13H20NO/c1-14(2,11-12-15)10-6-9-13-7-4-3-5-8-13/h3-9,15H,10-12H2,1-2H3/q+1
InChIKeyYPAUEMKNZRSUMN-UHFFFAOYSA-N
MW206.31 g/mol
LogP1.77
Rot. Bonds5

About 2-hydroxyethyl-dimethyl-(3-phenylprop-2-enyl)azanium

2-hydroxyethyl-dimethyl-(3-phenylprop-2-enyl)azanium (PubChem CID 57155174) has the molecular formula C13H20NO+ and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-hydroxyethyl-dimethyl-(3-phenylprop-2-enyl)azanium.

Molecular Properties

Compound Name2-hydroxyethyl-dimethyl-(3-phenylprop-2-enyl)azanium
PubChem CID57155174
Molecular FormulaC13H20NO+
Molecular Weight206.31 g/mol
Exact Mass206.15
IUPAC Name2-hydroxyethyl-dimethyl-(3-phenylprop-2-enyl)azanium
SMILESC[N+](C)(CC=Cc1ccccc1)CCO
InChIInChI=1S/C13H20NO/c1-14(2,11-12-15)10-6-9-13-7-4-3-5-8-13/h3-9,15H,10-12H2,1-2H3/q+1
InChIKeyYPAUEMKNZRSUMN-UHFFFAOYSA-N
XLogP1.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-bromoethyl-dimethyl-(3-phenylprop-2-enyl)azanium
CID 4162929
trimethyl-[(E)-3-phenylprop-2-enyl]azanium
CID 6434151
methyl-dioctadecyl-(3-phenylprop-2-enyl)azanium
CID 70003563
dimethyl-(naphthalen-1-ylmethyl)-(3-phenylprop-2-enyl)azanium chloride
CID 73385961
[methyl-phenyl-(3-phenylprop-2-enyl)azaniumyl]formate
CID 67682452
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
2-[dimethyl-[(E)-3-phenylprop-2-enyl]azaniumyl]ethyl hexadecyl phosphate
CID 71817656
2-[[(Z)-4-phenylbut-3-enyl]amino]ethanol
CID 82040501
benzene;but-1-enylbenzene
CID 157481332
2-methyl-3-(3-phenylprop-2-enylamino)propan-1-ol
CID 76950990
(S)-benzyl-[(E)-but-2-enyl]-(2-hydroxyethyl)-methylazanium
CID 102077534
2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol
CID 14988338

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl-dimethyl-(3-phenylprop-2-enyl)azanium?
The IUPAC name of 2-hydroxyethyl-dimethyl-(3-phenylprop-2-enyl)azanium (CID 57155174) is 2-hydroxyethyl-dimethyl-(3-phenylprop-2-enyl)azanium.
What is the SMILES notation for 2-hydroxyethyl-dimethyl-(3-phenylprop-2-enyl)azanium?
The canonical SMILES for 2-hydroxyethyl-dimethyl-(3-phenylprop-2-enyl)azanium is C[N+](C)(CC=Cc1ccccc1)CCO.
What is the InChIKey of 2-hydroxyethyl-dimethyl-(3-phenylprop-2-enyl)azanium?
The InChIKey is YPAUEMKNZRSUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20NO/c1-14(2,11-12-15)10-6-9-13-7-4-3-5-8-13/h3-9,15H,10-12H2,1-2H3/q+1.
What are the key properties of 2-hydroxyethyl-dimethyl-(3-phenylprop-2-enyl)azanium?
2-hydroxyethyl-dimethyl-(3-phenylprop-2-enyl)azanium has a molecular weight of 206.31 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl-dimethyl-(3-phenylprop-2-enyl)azanium is sourced from PubChem (CID 57155174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).