2-ethyl-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline

C19H23NO2 — CID 126123547

IUPAC2-ethyl-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline
SMILESC=CCOc1ccc(CNc2ccccc2CC)cc1OC
InChIInChI=1S/C19H23NO2/c1-4-12-22-18-11-10-15(13-19(18)21-3)14-20-17-9-7-6-8-16(17)5-2/h4,6-11,13,20H,1,5,12,14H2,2-3H3
InChIKeyNVSVKRCEMXSENP-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.43
Rot. Bonds8

About 2-ethyl-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline

2-ethyl-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline (PubChem CID 126123547) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-ethyl-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2-ethyl-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline
PubChem CID126123547
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name2-ethyl-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline
SMILESC=CCOc1ccc(CNc2ccccc2CC)cc1OC
InChIInChI=1S/C19H23NO2/c1-4-12-22-18-11-10-15(13-19(18)21-3)14-20-17-9-7-6-8-16(17)5-2/h4,6-11,13,20H,1,5,12,14H2,2-3H3
InChIKeyNVSVKRCEMXSENP-UHFFFAOYSA-N
XLogP4.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2,4-dimethylaniline
CID 126120336
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline
CID 28612218
4-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline
CID 66525608
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]pentan-3-amine
CID 78804015
N-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 119440436
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]hexan-1-amine
CID 4716850
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-[(2-prop-2-enoxyphenyl)methyl]guanidine
CID 111556864
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112874991
2-(methoxymethyl)-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 43677797
2-[(4-ethoxy-3-methoxyphenyl)methylamino]benzonitrile
CID 28615869
6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109352431
2-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)acetamide
CID 2674953

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline?
The IUPAC name of 2-ethyl-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline (CID 126123547) is 2-ethyl-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline.
What is the SMILES notation for 2-ethyl-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline?
The canonical SMILES for 2-ethyl-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline is C=CCOc1ccc(CNc2ccccc2CC)cc1OC.
What is the InChIKey of 2-ethyl-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline?
The InChIKey is NVSVKRCEMXSENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-4-12-22-18-11-10-15(13-19(18)21-3)14-20-17-9-7-6-8-16(17)5-2/h4,6-11,13,20H,1,5,12,14H2,2-3H3.
What are the key properties of 2-ethyl-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline?
2-ethyl-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline has a molecular weight of 297.40 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline is sourced from PubChem (CID 126123547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).