dimethyl-[[2-(2-prop-2-enoyloxyethyl)phenyl]methyl]azanium chloride

C14H20ClNO2 — CID 87166362

IUPACdimethyl-[[2-(2-prop-2-enoyloxyethyl)phenyl]methyl]azanium chloride
SMILESC=CC(=O)OCCc1ccccc1C[NH+](C)C.[Cl-]
InChIInChI=1S/C14H19NO2.ClH/c1-4-14(16)17-10-9-12-7-5-6-8-13(12)11-15(2)3;/h4-8H,1,9-11H2,2-3H3;1H
InChIKeyBTIZMAYZCJAADX-UHFFFAOYSA-N
MW269.77 g/mol
LogP-2.39
Rot. Bonds6

About dimethyl-[[2-(2-prop-2-enoyloxyethyl)phenyl]methyl]azanium chloride

dimethyl-[[2-(2-prop-2-enoyloxyethyl)phenyl]methyl]azanium chloride (PubChem CID 87166362) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is dimethyl-[[2-(2-prop-2-enoyloxyethyl)phenyl]methyl]azanium chloride.

Molecular Properties

Compound Namedimethyl-[[2-(2-prop-2-enoyloxyethyl)phenyl]methyl]azanium chloride
PubChem CID87166362
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Namedimethyl-[[2-(2-prop-2-enoyloxyethyl)phenyl]methyl]azanium chloride
SMILESC=CC(=O)OCCc1ccccc1C[NH+](C)C.[Cl-]
InChIInChI=1S/C14H19NO2.ClH/c1-4-14(16)17-10-9-12-7-5-6-8-13(12)11-15(2)3;/h4-8H,1,9-11H2,2-3H3;1H
InChIKeyBTIZMAYZCJAADX-UHFFFAOYSA-N
XLogP-2.39
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 5-2.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-nonylphenyl)ethyl prop-2-enoate
CID 67822598
methyl-[[2-(2-prop-2-enoyloxyethyl)phenyl]methyl]azanium chloride
CID 141252763
2-(2-chlorophenyl)ethyl prop-2-enoate
CID 18316827
2-(2-propan-2-ylphenyl)ethyl prop-2-enoate
CID 91061746
3-[2-(aminomethyl)phenyl]propyl prop-2-enoate
CID 174579618
2-[2-(2-aminopropan-2-yl)phenyl]ethyl prop-2-enoate;hydroiodide
CID 173064353
2-[2-(trifluoromethyl)phenyl]ethyl prop-2-enoate
CID 150969987
oxo-bis[2-(2-prop-2-enoyloxyethyl)phenoxy]phosphanium
CID 23219499
2-[2-(2-aminopropan-2-yl)phenyl]ethyl prop-2-enoate;sulfuric acid
CID 67537228
2-[2-(2-sulfooxypropan-2-yl)phenyl]ethyl prop-2-enoate
CID 141175379
2-(2-propylphenoxy)ethyl prop-2-enoate
CID 154077444
2-[3-(dimethylamino)-4-pyridinyl]ethyl prop-2-enoate
CID 150307302

Frequently Asked Questions

What is the IUPAC name of dimethyl-[[2-(2-prop-2-enoyloxyethyl)phenyl]methyl]azanium chloride?
The IUPAC name of dimethyl-[[2-(2-prop-2-enoyloxyethyl)phenyl]methyl]azanium chloride (CID 87166362) is dimethyl-[[2-(2-prop-2-enoyloxyethyl)phenyl]methyl]azanium chloride.
What is the SMILES notation for dimethyl-[[2-(2-prop-2-enoyloxyethyl)phenyl]methyl]azanium chloride?
The canonical SMILES for dimethyl-[[2-(2-prop-2-enoyloxyethyl)phenyl]methyl]azanium chloride is C=CC(=O)OCCc1ccccc1C[NH+](C)C.[Cl-].
What is the InChIKey of dimethyl-[[2-(2-prop-2-enoyloxyethyl)phenyl]methyl]azanium chloride?
The InChIKey is BTIZMAYZCJAADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2.ClH/c1-4-14(16)17-10-9-12-7-5-6-8-13(12)11-15(2)3;/h4-8H,1,9-11H2,2-3H3;1H.
What are the key properties of dimethyl-[[2-(2-prop-2-enoyloxyethyl)phenyl]methyl]azanium chloride?
dimethyl-[[2-(2-prop-2-enoyloxyethyl)phenyl]methyl]azanium chloride has a molecular weight of 269.77 g/mol, XLogP of -2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[[2-(2-prop-2-enoyloxyethyl)phenyl]methyl]azanium chloride is sourced from PubChem (CID 87166362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).