benzylazanium;ethene;chloride

C9H14ClN — CID 161138750

IUPACbenzylazanium;ethene;chloride
SMILESC=C.[Cl-].[NH3+]Cc1ccccc1
InChIInChI=1S/C7H9N.C2H4.ClH/c8-6-7-4-2-1-3-5-7;1-2;/h1-5H,6,8H2;1-2H2;1H
InChIKeyUNDNDOGJEHASFF-UHFFFAOYSA-N
MW171.67 g/mol
LogP-1.77
Rot. Bonds1

About benzylazanium;ethene;chloride

benzylazanium;ethene;chloride (PubChem CID 161138750) has the molecular formula C9H14ClN and a molecular weight of 171.67 g/mol. Its IUPAC name is benzylazanium;ethene;chloride.

Molecular Properties

Compound Namebenzylazanium;ethene;chloride
PubChem CID161138750
Molecular FormulaC9H14ClN
Molecular Weight171.67 g/mol
Exact Mass171.08
IUPAC Namebenzylazanium;ethene;chloride
SMILESC=C.[Cl-].[NH3+]Cc1ccccc1
InChIInChI=1S/C7H9N.C2H4.ClH/c8-6-7-4-2-1-3-5-7;1-2;/h1-5H,6,8H2;1-2H2;1H
InChIKeyUNDNDOGJEHASFF-UHFFFAOYSA-N
XLogP-1.77
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.67
LogP ≤ 5-1.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze benzylazanium;ethene;chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzylazanium;dioxotitanium;chloride
CID 174858414
benzylazanium;[(1R)-1-phenylethyl]azanium;[(1S)-1-phenylethyl]azanium
CID 158819459
benzylphosphanium chloride
CID 70121985
ethylazanium;ethylbenzene
CID 163634184
[4-(chloromethyl)phenyl]methylazanium chloride
CID 178000325
1,3-diphenylpropan-2-ylazanium chloride
CID 67842912
benzylazanium;(2R)-2-phenylpropanoate
CID 139061083
benzylazanium;4-[2-[4-[2-(4-sulfonatophenyl)ethynyl]phenyl]ethynyl]benzenesulfonate
CID 139187817
phenyl(113C)methylbenzene
CID 11194569
benzene;2-phenylethylbenzene
CID 18982764
benzylazanium;2-carboxy-6-hydroxyphenolate
CID 86748165
magnesium;phenylmethanolate;chloride
CID 14984940

Frequently Asked Questions

What is the IUPAC name of benzylazanium;ethene;chloride?
The IUPAC name of benzylazanium;ethene;chloride (CID 161138750) is benzylazanium;ethene;chloride.
What is the SMILES notation for benzylazanium;ethene;chloride?
The canonical SMILES for benzylazanium;ethene;chloride is C=C.[Cl-].[NH3+]Cc1ccccc1.
What is the InChIKey of benzylazanium;ethene;chloride?
The InChIKey is UNDNDOGJEHASFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C2H4.ClH/c8-6-7-4-2-1-3-5-7;1-2;/h1-5H,6,8H2;1-2H2;1H.
What are the key properties of benzylazanium;ethene;chloride?
benzylazanium;ethene;chloride has a molecular weight of 171.67 g/mol, XLogP of -1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzylazanium;ethene;chloride is sourced from PubChem (CID 161138750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).