1-[2-(methylamino)phenyl]ethyl prop-2-enoate

C12H15NO2 — CID 70261279

IUPAC1-[2-(methylamino)phenyl]ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)c1ccccc1NC
InChIInChI=1S/C12H15NO2/c1-4-12(14)15-9(2)10-7-5-6-8-11(10)13-3/h4-9,13H,1H2,2-3H3
InChIKeyPISQDCQRVOSYSM-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.52
Rot. Bonds4

About 1-[2-(methylamino)phenyl]ethyl prop-2-enoate

1-[2-(methylamino)phenyl]ethyl prop-2-enoate (PubChem CID 70261279) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-[2-(methylamino)phenyl]ethyl prop-2-enoate.

Molecular Properties

Compound Name1-[2-(methylamino)phenyl]ethyl prop-2-enoate
PubChem CID70261279
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-[2-(methylamino)phenyl]ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)c1ccccc1NC
InChIInChI=1S/C12H15NO2/c1-4-12(14)15-9(2)10-7-5-6-8-11(10)13-3/h4-9,13H,1H2,2-3H3
InChIKeyPISQDCQRVOSYSM-UHFFFAOYSA-N
XLogP2.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-acetyloxyphenyl)ethyl prop-2-enoate
CID 175062364
1-phenylethyl prop-2-enoate
CID 175321764
1-[2,3-bis(methylcarbamoyl)phenyl]ethyl prop-2-enoate
CID 18934405
1-[2,4-bis(phenylsulfanyl)phenyl]ethyl prop-2-enoate
CID 118070006
2-aminoethyl 2-methylprop-2-enoate;1-(2-hydroxyphenyl)ethyl prop-2-enoate
CID 66776977
1-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)ethyl prop-2-enoate
CID 163701901
[2-[1-(2-methylprop-2-enoyloxy)ethyl]phenyl]carbamic acid
CID 66993357
N-(2-propan-2-ylphenyl)prop-2-enamide
CID 23202677
3,4-bis(1-prop-2-enoyloxyethyl)phthalic acid
CID 18934233
CID 174996513
CID 174996513
1-(benzylamino)ethyl prop-2-enoate;hydrobromide
CID 175525359
1-(4-methylsulfanylphenyl)ethyl prop-2-enoate
CID 156761876

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)phenyl]ethyl prop-2-enoate?
The IUPAC name of 1-[2-(methylamino)phenyl]ethyl prop-2-enoate (CID 70261279) is 1-[2-(methylamino)phenyl]ethyl prop-2-enoate.
What is the SMILES notation for 1-[2-(methylamino)phenyl]ethyl prop-2-enoate?
The canonical SMILES for 1-[2-(methylamino)phenyl]ethyl prop-2-enoate is C=CC(=O)OC(C)c1ccccc1NC.
What is the InChIKey of 1-[2-(methylamino)phenyl]ethyl prop-2-enoate?
The InChIKey is PISQDCQRVOSYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-4-12(14)15-9(2)10-7-5-6-8-11(10)13-3/h4-9,13H,1H2,2-3H3.
What are the key properties of 1-[2-(methylamino)phenyl]ethyl prop-2-enoate?
1-[2-(methylamino)phenyl]ethyl prop-2-enoate has a molecular weight of 205.26 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)phenyl]ethyl prop-2-enoate is sourced from PubChem (CID 70261279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).