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

C19H23NO2 — CID 126120336

IUPACN-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2,4-dimethylaniline
SMILESC=CCOc1ccc(CNc2ccc(C)cc2C)cc1OC
InChIInChI=1S/C19H23NO2/c1-5-10-22-18-9-7-16(12-19(18)21-4)13-20-17-8-6-14(2)11-15(17)3/h5-9,11-12,20H,1,10,13H2,2-4H3
InChIKeyPHRBYQDRVVKNSD-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.49
Rot. Bonds7

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

N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2,4-dimethylaniline (PubChem CID 126120336) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2,4-dimethylaniline
PubChem CID126120336
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2,4-dimethylaniline
SMILESC=CCOc1ccc(CNc2ccc(C)cc2C)cc1OC
InChIInChI=1S/C19H23NO2/c1-5-10-22-18-9-7-16(12-19(18)21-4)13-20-17-8-6-14(2)11-15(17)3/h5-9,11-12,20H,1,10,13H2,2-4H3
InChIKeyPHRBYQDRVVKNSD-UHFFFAOYSA-N
XLogP4.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.49
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

2,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 30053969
2-methoxy-4-methyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 60931237
2-ethyl-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline
CID 126123547
N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126141319
4-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline
CID 66525608
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methylaniline
CID 28890884
N-[(3,4-dimethoxyphenyl)methyl]-4-iodo-2-methylaniline
CID 43716980
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]pentan-3-amine
CID 78804015
2,4-dimethyl-1-prop-2-enoxybenzene
CID 3023179
2-[4-(anilinomethyl)-2-methoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 126382591
N-[(3-bromo-4-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 126120613
N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-3,4-dimethylaniline
CID 126121742

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2,4-dimethylaniline?
The IUPAC name of N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2,4-dimethylaniline (CID 126120336) is N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2,4-dimethylaniline.
What is the SMILES notation for N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2,4-dimethylaniline?
The canonical SMILES for N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2,4-dimethylaniline is C=CCOc1ccc(CNc2ccc(C)cc2C)cc1OC.
What is the InChIKey of N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2,4-dimethylaniline?
The InChIKey is PHRBYQDRVVKNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-5-10-22-18-9-7-16(12-19(18)21-4)13-20-17-8-6-14(2)11-15(17)3/h5-9,11-12,20H,1,10,13H2,2-4H3.
What are the key properties of N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2,4-dimethylaniline?
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2,4-dimethylaniline has a molecular weight of 297.40 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2,4-dimethylaniline is sourced from PubChem (CID 126120336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).