(1-amino-2-phenylethylidene)-dimethylazanium chloride

C10H15ClN2 — CID 21675

IUPAC(1-amino-2-phenylethylidene)-dimethylazanium chloride
SMILESC[N+](C)=C(N)Cc1ccccc1.[Cl-]
InChIInChI=1S/C10H14N2.ClH/c1-12(2)10(11)8-9-6-4-3-5-7-9;/h3-7,11H,8H2,1-2H3;1H
InChIKeyKWVVSNDXLGGYQW-UHFFFAOYSA-N
MW198.70 g/mol
LogP-2.14
Rot. Bonds2

About (1-amino-2-phenylethylidene)-dimethylazanium chloride

(1-amino-2-phenylethylidene)-dimethylazanium chloride (PubChem CID 21675) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is (1-amino-2-phenylethylidene)-dimethylazanium chloride.

Molecular Properties

Compound Name(1-amino-2-phenylethylidene)-dimethylazanium chloride
PubChem CID21675
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name(1-amino-2-phenylethylidene)-dimethylazanium chloride
SMILESC[N+](C)=C(N)Cc1ccccc1.[Cl-]
InChIInChI=1S/C10H14N2.ClH/c1-12(2)10(11)8-9-6-4-3-5-7-9;/h3-7,11H,8H2,1-2H3;1H
InChIKeyKWVVSNDXLGGYQW-UHFFFAOYSA-N
XLogP-2.14
TPSA29.03 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 5-2.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-amino-2-phenylethylidene)-dimethylazanium chloride?
The IUPAC name of (1-amino-2-phenylethylidene)-dimethylazanium chloride (CID 21675) is (1-amino-2-phenylethylidene)-dimethylazanium chloride.
What is the SMILES notation for (1-amino-2-phenylethylidene)-dimethylazanium chloride?
The canonical SMILES for (1-amino-2-phenylethylidene)-dimethylazanium chloride is C[N+](C)=C(N)Cc1ccccc1.[Cl-].
What is the InChIKey of (1-amino-2-phenylethylidene)-dimethylazanium chloride?
The InChIKey is KWVVSNDXLGGYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.ClH/c1-12(2)10(11)8-9-6-4-3-5-7-9;/h3-7,11H,8H2,1-2H3;1H.
What are the key properties of (1-amino-2-phenylethylidene)-dimethylazanium chloride?
(1-amino-2-phenylethylidene)-dimethylazanium chloride has a molecular weight of 198.70 g/mol, XLogP of -2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-phenylethylidene)-dimethylazanium chloride is sourced from PubChem (CID 21675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).