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

C11H16ClN — CID 75065176

IUPACdimethyl(3-phenylprop-2-enyl)azanium chloride
SMILESC[NH+](C)CC=Cc1ccccc1.[Cl-]
InChIInChI=1S/C11H15N.ClH/c1-12(2)10-6-9-11-7-4-3-5-8-11;/h3-9H,10H2,1-2H3;1H
InChIKeyAOHWTKAZWYSYBL-UHFFFAOYSA-N
MW197.71 g/mol
LogP-2.15
Rot. Bonds3

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

dimethyl(3-phenylprop-2-enyl)azanium chloride (PubChem CID 75065176) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is dimethyl(3-phenylprop-2-enyl)azanium chloride.

Molecular Properties

Compound Namedimethyl(3-phenylprop-2-enyl)azanium chloride
PubChem CID75065176
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Namedimethyl(3-phenylprop-2-enyl)azanium chloride
SMILESC[NH+](C)CC=Cc1ccccc1.[Cl-]
InChIInChI=1S/C11H15N.ClH/c1-12(2)10-6-9-11-7-4-3-5-8-11;/h3-9H,10H2,1-2H3;1H
InChIKeyAOHWTKAZWYSYBL-UHFFFAOYSA-N
XLogP-2.15
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 5-2.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

dimethyl-[(E)-3-phenylprop-2-enyl]azanium chloride
CID 44725261
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
benzene;but-1-enylbenzene
CID 157481332
dimethyl-phenyl-[(E)-3-phenylprop-2-enyl]-λ4-sulfane
CID 126693424
benzyl-ethyl-[(E)-3-phenylprop-2-enyl]azanium
CID 7320153
dimethyl-[2-oxo-2-(3-phenylprop-2-enoxy)ethyl]azanium chloride
CID 143304619
[(1E,4E)-hexa-1,4-dienyl]benzene
CID 13068859
CID 140512150
CID 140512150
ethane;[(E)-pent-1-enyl]benzene
CID 143265687
[(E)-3-methylsulfanylprop-1-enyl]benzene
CID 5370626
trimethyl-[(E)-3-phenylprop-2-enyl]azanium
CID 6434151
ethane;[(E)-3-phenylprop-1-enyl]benzene
CID 143041114

Frequently Asked Questions

What is the IUPAC name of dimethyl(3-phenylprop-2-enyl)azanium chloride?
The IUPAC name of dimethyl(3-phenylprop-2-enyl)azanium chloride (CID 75065176) is dimethyl(3-phenylprop-2-enyl)azanium chloride.
What is the SMILES notation for dimethyl(3-phenylprop-2-enyl)azanium chloride?
The canonical SMILES for dimethyl(3-phenylprop-2-enyl)azanium chloride is C[NH+](C)CC=Cc1ccccc1.[Cl-].
What is the InChIKey of dimethyl(3-phenylprop-2-enyl)azanium chloride?
The InChIKey is AOHWTKAZWYSYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.ClH/c1-12(2)10-6-9-11-7-4-3-5-8-11;/h3-9H,10H2,1-2H3;1H.
What are the key properties of dimethyl(3-phenylprop-2-enyl)azanium chloride?
dimethyl(3-phenylprop-2-enyl)azanium chloride has a molecular weight of 197.71 g/mol, XLogP of -2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(3-phenylprop-2-enyl)azanium chloride is sourced from PubChem (CID 75065176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).