1-[2-(1-ethoxyethenyl)phenyl]-N-methylethanamine

C13H19NO — CID 165467802

IUPAC1-[2-(1-ethoxyethenyl)phenyl]-N-methylethanamine
SMILESC=C(OCC)c1ccccc1C(C)NC
InChIInChI=1S/C13H19NO/c1-5-15-11(3)13-9-7-6-8-12(13)10(2)14-4/h6-10,14H,3,5H2,1-2,4H3
InChIKeyXJXSEZIJHWPUER-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.97
Rot. Bonds5

About 1-[2-(1-ethoxyethenyl)phenyl]-N-methylethanamine

1-[2-(1-ethoxyethenyl)phenyl]-N-methylethanamine (PubChem CID 165467802) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-[2-(1-ethoxyethenyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(1-ethoxyethenyl)phenyl]-N-methylethanamine
PubChem CID165467802
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-[2-(1-ethoxyethenyl)phenyl]-N-methylethanamine
SMILESC=C(OCC)c1ccccc1C(C)NC
InChIInChI=1S/C13H19NO/c1-5-15-11(3)13-9-7-6-8-12(13)10(2)14-4/h6-10,14H,3,5H2,1-2,4H3
InChIKeyXJXSEZIJHWPUER-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-[4-(1-ethoxyethenyl)phenyl]-N-methylethanamine
CID 165469702
1-[2-[1-(methylamino)ethyl]phenyl]ethanamine
CID 139989769
ethyl 2-[1-(prop-2-ynylamino)ethyl]benzoate;hydrochloride
CID 172883149
1-(2,2-difluoroethoxymethyl)-2-(1-ethoxyethenyl)benzene
CID 177214079
3-(1-ethoxyethenyl)-2-fluoroaniline
CID 165464592
2-[2-[1-(methylamino)ethyl]phenoxy]butanamide
CID 55131608
2-[(1S)-1-(methylamino)ethyl]benzenethiol
CID 131140509
ethyl 2-[2-[1-(methylamino)ethyl]naphthalen-1-yl]oxyacetate
CID 60889401
(1S)-N-methyl-1-(2-prop-2-enoxyphenyl)ethanamine
CID 137320021
3-[2-[1-(methylamino)ethyl]phenoxy]propanamide
CID 43279505
ethyl 2-[1-(dimethylamino)ethyl]benzoate
CID 67415343
1-(2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine
CID 115533805

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethoxyethenyl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[2-(1-ethoxyethenyl)phenyl]-N-methylethanamine (CID 165467802) is 1-[2-(1-ethoxyethenyl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(1-ethoxyethenyl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(1-ethoxyethenyl)phenyl]-N-methylethanamine is C=C(OCC)c1ccccc1C(C)NC.
What is the InChIKey of 1-[2-(1-ethoxyethenyl)phenyl]-N-methylethanamine?
The InChIKey is XJXSEZIJHWPUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-5-15-11(3)13-9-7-6-8-12(13)10(2)14-4/h6-10,14H,3,5H2,1-2,4H3.
What are the key properties of 1-[2-(1-ethoxyethenyl)phenyl]-N-methylethanamine?
1-[2-(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-[2-(1-ethoxyethenyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 165467802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).