N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-3,4-dimethylaniline

C20H25NO2 — CID 126121742

IUPACN-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-3,4-dimethylaniline
SMILESC=CCOc1ccc(CNc2ccc(C)c(C)c2)cc1OCC
InChIInChI=1S/C20H25NO2/c1-5-11-23-19-10-8-17(13-20(19)22-6-2)14-21-18-9-7-15(3)16(4)12-18/h5,7-10,12-13,21H,1,6,11,14H2,2-4H3
InChIKeyROXNCYUQATZQEM-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.88
Rot. Bonds8

About N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-3,4-dimethylaniline

N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-3,4-dimethylaniline (PubChem CID 126121742) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-3,4-dimethylaniline.

Molecular Properties

Compound NameN-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-3,4-dimethylaniline
PubChem CID126121742
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-3,4-dimethylaniline
SMILESC=CCOc1ccc(CNc2ccc(C)c(C)c2)cc1OCC
InChIInChI=1S/C20H25NO2/c1-5-11-23-19-10-8-17(13-20(19)22-6-2)14-21-18-9-7-15(3)16(4)12-18/h5,7-10,12-13,21H,1,6,11,14H2,2-4H3
InChIKeyROXNCYUQATZQEM-UHFFFAOYSA-N
XLogP4.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.88
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

4-ethoxy-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]aniline
CID 126126146
N-[(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methyl]-3,4-dimethylaniline
CID 126124235
5-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 3157952
N-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline
CID 126134530
3-bromo-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-methylaniline
CID 63333064
4-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline
CID 66525608
N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]butan-1-amine;hydrochloride
CID 2959787
2-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]-2-methylpropan-1-ol
CID 4109207
2-[4-[(3,4-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(2,3-dimethylphenyl)acetamide
CID 126383812
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-difluoroaniline
CID 28615179
N-(3,4-dimethylphenyl)-2-[2-ethoxy-4-[(4-methoxyanilino)methyl]phenoxy]acetamide
CID 5034754
N-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-3,4-dimethylaniline
CID 39455864

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-3,4-dimethylaniline?
The IUPAC name of N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-3,4-dimethylaniline (CID 126121742) is N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-3,4-dimethylaniline.
What is the SMILES notation for N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-3,4-dimethylaniline?
The canonical SMILES for N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-3,4-dimethylaniline is C=CCOc1ccc(CNc2ccc(C)c(C)c2)cc1OCC.
What is the InChIKey of N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-3,4-dimethylaniline?
The InChIKey is ROXNCYUQATZQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-5-11-23-19-10-8-17(13-20(19)22-6-2)14-21-18-9-7-15(3)16(4)12-18/h5,7-10,12-13,21H,1,6,11,14H2,2-4H3.
What are the key properties of N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-3,4-dimethylaniline?
N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-3,4-dimethylaniline has a molecular weight of 311.43 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-3,4-dimethylaniline is sourced from PubChem (CID 126121742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).