1-[4-(1-ethoxyethenyl)phenyl]-N-methylethanamine

C13H19NO — CID 165469702

IUPAC1-[4-(1-ethoxyethenyl)phenyl]-N-methylethanamine
SMILESC=C(OCC)c1ccc(C(C)NC)cc1
InChIInChI=1S/C13H19NO/c1-5-15-11(3)13-8-6-12(7-9-13)10(2)14-4/h6-10,14H,3,5H2,1-2,4H3
InChIKeyXJZKGPVCTJOHEL-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.97
Rot. Bonds5

About 1-[4-(1-ethoxyethenyl)phenyl]-N-methylethanamine

1-[4-(1-ethoxyethenyl)phenyl]-N-methylethanamine (PubChem CID 165469702) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-[4-(1-ethoxyethenyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-(1-ethoxyethenyl)phenyl]-N-methylethanamine
PubChem CID165469702
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-[4-(1-ethoxyethenyl)phenyl]-N-methylethanamine
SMILESC=C(OCC)c1ccc(C(C)NC)cc1
InChIInChI=1S/C13H19NO/c1-5-15-11(3)13-8-6-12(7-9-13)10(2)14-4/h6-10,14H,3,5H2,1-2,4H3
InChIKeyXJZKGPVCTJOHEL-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-(1-ethoxyethenyl)-4-(2-methylpropyl)benzene
CID 146686998
4-(1-ethoxyethenyl)aniline
CID 90447713
1-[2-(1-ethoxyethenyl)phenyl]-N-methylethanamine
CID 165467802
N-methyl-1-[4-(2-methylidenebutoxy)phenyl]ethanamine
CID 66043980
4-[(1R)-1-(methylamino)ethyl]benzoic acid
CID 55276325
1-[5-(1-ethoxyethenyl)-2-pyridinyl]-N-ethylethanamine
CID 165464510
N'-hydroxy-4-[1-(methylamino)ethyl]benzenecarboximidamide
CID 135313208
4-(1-ethoxyethenyl)benzaldehyde
CID 86025539
1-[4-(ethoxymethylsulfanyl)phenyl]-N-methylethanamine
CID 65366968
1-(4-ethoxy-3-methylphenyl)-N-methylethanamine
CID 82491203
N-[4-[1-(methylamino)ethyl]phenyl]ethanesulfonamide
CID 43508080
ethyl 4-[1-(2-formylhydrazinyl)ethyl]benzoate
CID 174521725

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-ethoxyethenyl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[4-(1-ethoxyethenyl)phenyl]-N-methylethanamine (CID 165469702) is 1-[4-(1-ethoxyethenyl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-(1-ethoxyethenyl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-(1-ethoxyethenyl)phenyl]-N-methylethanamine is C=C(OCC)c1ccc(C(C)NC)cc1.
What is the InChIKey of 1-[4-(1-ethoxyethenyl)phenyl]-N-methylethanamine?
The InChIKey is XJZKGPVCTJOHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-5-15-11(3)13-8-6-12(7-9-13)10(2)14-4/h6-10,14H,3,5H2,1-2,4H3.
What are the key properties of 1-[4-(1-ethoxyethenyl)phenyl]-N-methylethanamine?
1-[4-(1-ethoxyethenyl)phenyl]-N-methylethanamine has a molecular weight of 205.30 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-ethoxyethenyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 165469702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).