benzylphosphanyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium;hydrobromide

C14H22BrNO2P+ — CID 174745644

IUPACbenzylphosphanyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium;hydrobromide
SMILESBr.C=CC(=O)OCC[N+](C)(C)PCc1ccccc1
InChIInChI=1S/C14H21NO2P.BrH/c1-4-14(16)17-11-10-15(2,3)18-12-13-8-6-5-7-9-13;/h4-9,18H,1,10-12H2,2-3H3;1H/q+1;
InChIKeyBFMNWTLIOZTFFN-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.16
Rot. Bonds7

About benzylphosphanyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium;hydrobromide

benzylphosphanyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium;hydrobromide (PubChem CID 174745644) has the molecular formula C14H22BrNO2P+ and a molecular weight of 347.21 g/mol. Its IUPAC name is benzylphosphanyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium;hydrobromide.

Molecular Properties

Compound Namebenzylphosphanyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium;hydrobromide
PubChem CID174745644
Molecular FormulaC14H22BrNO2P+
Molecular Weight347.21 g/mol
Exact Mass346.06
IUPAC Namebenzylphosphanyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium;hydrobromide
SMILESBr.C=CC(=O)OCC[N+](C)(C)PCc1ccccc1
InChIInChI=1S/C14H21NO2P.BrH/c1-4-14(16)17-11-10-15(2,3)18-12-13-8-6-5-7-9-13;/h4-9,18H,1,10-12H2,2-3H3;1H/q+1;
InChIKeyBFMNWTLIOZTFFN-UHFFFAOYSA-N
XLogP3.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

benzyl-diethyl-(2-prop-2-enoyloxyethyl)azanium iodide
CID 142745009
benzyl-dimethyl-(4-prop-2-enoyloxybutyl)azanium iodide
CID 141315122
dimethyl-(1-phenylethyl)-(2-prop-2-enoyloxyethyl)azanium
CID 23288489
benzyl-ethyl-methyl-(3-prop-2-enoyloxypropyl)azanium iodide
CID 141382703
benzyl prop-2-enoate;but-2-enedioic acid
CID 70273802
(3-benzoylphenyl)methyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium
CID 23037627
2-(4-benzoylphenyl)ethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium bromide
CID 161195215
benzyl prop-2-enoate;2-phenylethyl prop-2-enoate
CID 159252010
2-(4-benzylphenyl)ethyl prop-2-enoate
CID 18316835
benzyl-(3-prop-2-enoyloxypropyl)-dipropylazanium chloride
CID 87837686
2-(2-prop-2-enoyloxyethoxy)benzoic acid
CID 18974630
2-(dibenzylamino)ethyl prop-2-enoate
CID 18943210

Frequently Asked Questions

What is the IUPAC name of benzylphosphanyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium;hydrobromide?
The IUPAC name of benzylphosphanyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium;hydrobromide (CID 174745644) is benzylphosphanyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium;hydrobromide.
What is the SMILES notation for benzylphosphanyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium;hydrobromide?
The canonical SMILES for benzylphosphanyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium;hydrobromide is Br.C=CC(=O)OCC[N+](C)(C)PCc1ccccc1.
What is the InChIKey of benzylphosphanyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium;hydrobromide?
The InChIKey is BFMNWTLIOZTFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2P.BrH/c1-4-14(16)17-11-10-15(2,3)18-12-13-8-6-5-7-9-13;/h4-9,18H,1,10-12H2,2-3H3;1H/q+1;.
What are the key properties of benzylphosphanyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium;hydrobromide?
benzylphosphanyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium;hydrobromide has a molecular weight of 347.21 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzylphosphanyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium;hydrobromide is sourced from PubChem (CID 174745644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).