ethenone;(3-ethylphenyl)methanamine

C11H15NO — CID 177135732

IUPACethenone;(3-ethylphenyl)methanamine
SMILESC=C=O.CCc1cccc(CN)c1
InChIInChI=1S/C9H13N.C2H2O/c1-2-8-4-3-5-9(6-8)7-10;1-2-3/h3-6H,2,7,10H2,1H3;1H2
InChIKeyOVFWODATHOVIOO-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.71
Rot. Bonds2

About ethenone;(3-ethylphenyl)methanamine

ethenone;(3-ethylphenyl)methanamine (PubChem CID 177135732) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is ethenone;(3-ethylphenyl)methanamine.

Molecular Properties

Compound Nameethenone;(3-ethylphenyl)methanamine
PubChem CID177135732
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Nameethenone;(3-ethylphenyl)methanamine
SMILESC=C=O.CCc1cccc(CN)c1
InChIInChI=1S/C9H13N.C2H2O/c1-2-8-4-3-5-9(6-8)7-10;1-2-3/h3-6H,2,7,10H2,1H3;1H2
InChIKeyOVFWODATHOVIOO-UHFFFAOYSA-N
XLogP1.71
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethenone;(3-ethylphenyl)methanamine 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

[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
[3-(aminomethyl)phenyl]methanamine;ethane;molecular hydrogen
CID 145400663
carbon dioxide;phenylmethanamine
CID 123245363
[3-(aminomethyl)phenyl]methanamine;thiocyanic acid
CID 175054435
1-ethyl-3-(3-ethylphenyl)benzene;methanediamine
CID 134305122
[3-(propylsulfanylmethyl)phenyl]methanamine
CID 43530073
[3-(aminomethyl)phenyl]methanamine;boric acid
CID 175765748
3-(aminomethyl)phenol;ethane;ethylbenzene
CID 144683707
1-ethyl-3-methylbenzene;isocyanic acid
CID 88779668
[3-(bromomethyl)phenyl]methanamine
CID 67540206
[3-(fluoromethyl)phenyl]methanamine
CID 58789244
2-[3-(aminomethyl)phenyl]ethanamine
CID 67482147

Frequently Asked Questions

What is the IUPAC name of ethenone;(3-ethylphenyl)methanamine?
The IUPAC name of ethenone;(3-ethylphenyl)methanamine (CID 177135732) is ethenone;(3-ethylphenyl)methanamine.
What is the SMILES notation for ethenone;(3-ethylphenyl)methanamine?
The canonical SMILES for ethenone;(3-ethylphenyl)methanamine is C=C=O.CCc1cccc(CN)c1.
What is the InChIKey of ethenone;(3-ethylphenyl)methanamine?
The InChIKey is OVFWODATHOVIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C2H2O/c1-2-8-4-3-5-9(6-8)7-10;1-2-3/h3-6H,2,7,10H2,1H3;1H2.
What are the key properties of ethenone;(3-ethylphenyl)methanamine?
ethenone;(3-ethylphenyl)methanamine has a molecular weight of 177.25 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenone;(3-ethylphenyl)methanamine is sourced from PubChem (CID 177135732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).