2-[2-(2-aminopropan-2-yl)phenyl]ethyl prop-2-enoate;hydroiodide

C14H20INO2 — CID 173064353

IUPAC2-[2-(2-aminopropan-2-yl)phenyl]ethyl prop-2-enoate;hydroiodide
SMILESC=CC(=O)OCCc1ccccc1C(C)(C)N.I
InChIInChI=1S/C14H19NO2.HI/c1-4-13(16)17-10-9-11-7-5-6-8-12(11)14(2,3)15;/h4-8H,1,9-10,15H2,2-3H3;1H
InChIKeyFOFLIJRFSMWFQP-UHFFFAOYSA-N
MW361.22 g/mol
LogP2.77
Rot. Bonds5

About 2-[2-(2-aminopropan-2-yl)phenyl]ethyl prop-2-enoate;hydroiodide

2-[2-(2-aminopropan-2-yl)phenyl]ethyl prop-2-enoate;hydroiodide (PubChem CID 173064353) has the molecular formula C14H20INO2 and a molecular weight of 361.22 g/mol. Its IUPAC name is 2-[2-(2-aminopropan-2-yl)phenyl]ethyl prop-2-enoate;hydroiodide.

Molecular Properties

Compound Name2-[2-(2-aminopropan-2-yl)phenyl]ethyl prop-2-enoate;hydroiodide
PubChem CID173064353
Molecular FormulaC14H20INO2
Molecular Weight361.22 g/mol
Exact Mass361.05
IUPAC Name2-[2-(2-aminopropan-2-yl)phenyl]ethyl prop-2-enoate;hydroiodide
SMILESC=CC(=O)OCCc1ccccc1C(C)(C)N.I
InChIInChI=1S/C14H19NO2.HI/c1-4-13(16)17-10-9-11-7-5-6-8-12(11)14(2,3)15;/h4-8H,1,9-10,15H2,2-3H3;1H
InChIKeyFOFLIJRFSMWFQP-UHFFFAOYSA-N
XLogP2.77
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.22
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-aminopropan-2-yl)phenyl]ethyl prop-2-enoate;sulfuric acid
CID 67537228
2-[2-(trifluoromethyl)phenyl]ethyl prop-2-enoate
CID 150969987
2-[2-(2-sulfooxypropan-2-yl)phenyl]ethyl prop-2-enoate
CID 141175379
2-(2-chlorophenyl)ethyl prop-2-enoate
CID 18316827
2-(2-propan-2-ylphenyl)ethyl prop-2-enoate
CID 91061746
2-(2-nonylphenyl)ethyl prop-2-enoate
CID 67822598
dimethyl-[[2-(2-prop-2-enoyloxyethyl)phenyl]methyl]azanium chloride
CID 87166362
methyl-[[2-(2-prop-2-enoyloxyethyl)phenyl]methyl]azanium chloride
CID 141252763
[1-[2-(2-aminopropan-2-yl)phenyl]-1-prop-2-enoyloxyethyl] prop-2-enoate
CID 68900550
bis[2-(2-tert-butylphenyl)ethyl] carbonate
CID 67162129
oxo-bis[2-(2-prop-2-enoyloxyethyl)phenoxy]phosphanium
CID 23219499
3-[2-(aminomethyl)phenyl]propyl prop-2-enoate
CID 174579618

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopropan-2-yl)phenyl]ethyl prop-2-enoate;hydroiodide?
The IUPAC name of 2-[2-(2-aminopropan-2-yl)phenyl]ethyl prop-2-enoate;hydroiodide (CID 173064353) is 2-[2-(2-aminopropan-2-yl)phenyl]ethyl prop-2-enoate;hydroiodide.
What is the SMILES notation for 2-[2-(2-aminopropan-2-yl)phenyl]ethyl prop-2-enoate;hydroiodide?
The canonical SMILES for 2-[2-(2-aminopropan-2-yl)phenyl]ethyl prop-2-enoate;hydroiodide is C=CC(=O)OCCc1ccccc1C(C)(C)N.I.
What is the InChIKey of 2-[2-(2-aminopropan-2-yl)phenyl]ethyl prop-2-enoate;hydroiodide?
The InChIKey is FOFLIJRFSMWFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2.HI/c1-4-13(16)17-10-9-11-7-5-6-8-12(11)14(2,3)15;/h4-8H,1,9-10,15H2,2-3H3;1H.
What are the key properties of 2-[2-(2-aminopropan-2-yl)phenyl]ethyl prop-2-enoate;hydroiodide?
2-[2-(2-aminopropan-2-yl)phenyl]ethyl prop-2-enoate;hydroiodide has a molecular weight of 361.22 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminopropan-2-yl)phenyl]ethyl prop-2-enoate;hydroiodide is sourced from PubChem (CID 173064353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).