1-aminoprop-2-enyl(triphenyl)phosphanium chloride

C21H21ClNP — CID 88750201

IUPAC1-aminoprop-2-enyl(triphenyl)phosphanium chloride
SMILESC=CC(N)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C21H21NP.ClH/c1-2-21(22)23(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;/h2-17,21H,1,22H2;1H/q+1;/p-1
InChIKeyMEOBIXMDAGZVLN-UHFFFAOYSA-M
MW353.83 g/mol
LogP0.46
Rot. Bonds5

About 1-aminoprop-2-enyl(triphenyl)phosphanium chloride

1-aminoprop-2-enyl(triphenyl)phosphanium chloride (PubChem CID 88750201) has the molecular formula C21H21ClNP and a molecular weight of 353.83 g/mol. Its IUPAC name is 1-aminoprop-2-enyl(triphenyl)phosphanium chloride.

Molecular Properties

Compound Name1-aminoprop-2-enyl(triphenyl)phosphanium chloride
PubChem CID88750201
Molecular FormulaC21H21ClNP
Molecular Weight353.83 g/mol
Exact Mass353.11
IUPAC Name1-aminoprop-2-enyl(triphenyl)phosphanium chloride
SMILESC=CC(N)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C21H21NP.ClH/c1-2-21(22)23(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;/h2-17,21H,1,22H2;1H/q+1;/p-1
InChIKeyMEOBIXMDAGZVLN-UHFFFAOYSA-M
XLogP0.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyanoprop-2-enyl(triphenyl)phosphanium
CID 88703859
[amino(phenyl)methyl]-triphenylphosphanium
CID 174402804
(1R,2S)-2-amino-1-phenylbut-3-en-1-ol
CID 10942782
buta-1,3-dienyl(triphenyl)phosphanium
CID 2752732
CID 174479295
CID 174479295
(2R,3S)-3-amino-2-phenylpent-4-enal
CID 170084967
CID 173375088
CID 173375088
ethenyl-ethyl-diphenylphosphanium
CID 175448312
1-hydroxyethyl(triphenyl)phosphanium chloride
CID 22164733
triphenyl(propan-2-yl)phosphanium hydroxide
CID 18356098
[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene
CID 12573330
penta-1,4-dien-3-ylbenzene
CID 15879286

Frequently Asked Questions

What is the IUPAC name of 1-aminoprop-2-enyl(triphenyl)phosphanium chloride?
The IUPAC name of 1-aminoprop-2-enyl(triphenyl)phosphanium chloride (CID 88750201) is 1-aminoprop-2-enyl(triphenyl)phosphanium chloride.
What is the SMILES notation for 1-aminoprop-2-enyl(triphenyl)phosphanium chloride?
The canonical SMILES for 1-aminoprop-2-enyl(triphenyl)phosphanium chloride is C=CC(N)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of 1-aminoprop-2-enyl(triphenyl)phosphanium chloride?
The InChIKey is MEOBIXMDAGZVLN-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H21NP.ClH/c1-2-21(22)23(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;/h2-17,21H,1,22H2;1H/q+1;/p-1.
What are the key properties of 1-aminoprop-2-enyl(triphenyl)phosphanium chloride?
1-aminoprop-2-enyl(triphenyl)phosphanium chloride has a molecular weight of 353.83 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoprop-2-enyl(triphenyl)phosphanium chloride is sourced from PubChem (CID 88750201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).