(E)-3-[2-(1-aminoethoxy)phenyl]prop-2-enal

C11H13NO2 — CID 173269741

IUPAC(E)-3-[2-(1-aminoethoxy)phenyl]prop-2-enal
SMILESCC(N)Oc1ccccc1/C=C/C=O
InChIInChI=1S/C11H13NO2/c1-9(12)14-11-7-3-2-5-10(11)6-4-8-13/h2-9H,12H2,1H3/b6-4+
InChIKeyTZVXKXUGILVMAR-GQCTYLIASA-N
MW191.23 g/mol
LogP1.58
Rot. Bonds4

About (E)-3-[2-(1-aminoethoxy)phenyl]prop-2-enal

(E)-3-[2-(1-aminoethoxy)phenyl]prop-2-enal (PubChem CID 173269741) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (E)-3-[2-(1-aminoethoxy)phenyl]prop-2-enal.

Molecular Properties

Compound Name(E)-3-[2-(1-aminoethoxy)phenyl]prop-2-enal
PubChem CID173269741
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(E)-3-[2-(1-aminoethoxy)phenyl]prop-2-enal
SMILESCC(N)Oc1ccccc1/C=C/C=O
InChIInChI=1S/C11H13NO2/c1-9(12)14-11-7-3-2-5-10(11)6-4-8-13/h2-9H,12H2,1H3/b6-4+
InChIKeyTZVXKXUGILVMAR-GQCTYLIASA-N
XLogP1.58
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-[2-(1-aminoethoxy)phenyl]prop-2-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(E)-3-oxoprop-1-enyl]phenyl] acetate
CID 6069153
(E)-4-[2-(difluoromethoxy)phenyl]but-3-en-2-amine
CID 103091591
[2-[(E)-3-oxoprop-1-enyl]phenyl] benzoate
CID 10467367
2-(2-prop-1-enylphenoxy)propan-1-amine
CID 76943563
3-(2-hydrazinylphenyl)prop-2-enal
CID 169458787
(E)-4-[2-(difluoromethoxy)phenyl]-3-methylbut-3-en-2-amine
CID 103091905
1-phenyl-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one
CID 70288078
3-[2-(difluoromethoxy)-4-fluorophenyl]prop-2-enal
CID 169459540
methyl 2-[(E)-3-oxoprop-1-enyl]benzoate
CID 12656130
2-(3-oxobutan-2-yloxy)benzaldehyde
CID 23468859
(Z)-3-[2-[[2-[(E)-3-oxoprop-1-enyl]phenyl]ditellanyl]phenyl]prop-2-enal
CID 171377940
(E)-3-[2-[(E)-3-oxobut-1-enyl]phenyl]prop-2-enal
CID 101375200

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(1-aminoethoxy)phenyl]prop-2-enal?
The IUPAC name of (E)-3-[2-(1-aminoethoxy)phenyl]prop-2-enal (CID 173269741) is (E)-3-[2-(1-aminoethoxy)phenyl]prop-2-enal.
What is the SMILES notation for (E)-3-[2-(1-aminoethoxy)phenyl]prop-2-enal?
The canonical SMILES for (E)-3-[2-(1-aminoethoxy)phenyl]prop-2-enal is CC(N)Oc1ccccc1/C=C/C=O.
What is the InChIKey of (E)-3-[2-(1-aminoethoxy)phenyl]prop-2-enal?
The InChIKey is TZVXKXUGILVMAR-GQCTYLIASA-N. The full InChI is InChI=1S/C11H13NO2/c1-9(12)14-11-7-3-2-5-10(11)6-4-8-13/h2-9H,12H2,1H3/b6-4+.
What are the key properties of (E)-3-[2-(1-aminoethoxy)phenyl]prop-2-enal?
(E)-3-[2-(1-aminoethoxy)phenyl]prop-2-enal has a molecular weight of 191.23 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(1-aminoethoxy)phenyl]prop-2-enal is sourced from PubChem (CID 173269741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).