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

C18H21NO2 — CID 60931237

IUPAC2-methoxy-4-methyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline
SMILESC=CCOc1ccc(CNc2ccc(C)cc2OC)cc1
InChIInChI=1S/C18H21NO2/c1-4-11-21-16-8-6-15(7-9-16)13-19-17-10-5-14(2)12-18(17)20-3/h4-10,12,19H,1,11,13H2,2-3H3
InChIKeyQRWSBCAWTPEPPH-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.18
Rot. Bonds7

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

2-methoxy-4-methyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline (PubChem CID 60931237) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-methoxy-4-methyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2-methoxy-4-methyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline
PubChem CID60931237
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-methoxy-4-methyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline
SMILESC=CCOc1ccc(CNc2ccc(C)cc2OC)cc1
InChIInChI=1S/C18H21NO2/c1-4-11-21-16-8-6-15(7-9-16)13-19-17-10-5-14(2)12-18(17)20-3/h4-10,12,19H,1,11,13H2,2-3H3
InChIKeyQRWSBCAWTPEPPH-UHFFFAOYSA-N
XLogP4.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.18
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-methylphenyl)methyl]aniline
CID 54865900
N-[(4-tert-butylphenyl)methyl]-2-methoxy-4-methylaniline
CID 63451276
N-benzyl-2-methoxy-4-methylaniline
CID 54865649
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2,4-dimethylaniline
CID 126120336
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983
2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865901
4-bromo-3-methoxy-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 82859870
N-[(4-butoxyphenyl)methyl]-2-methoxy-5-methylaniline
CID 39422641
N-[(3,5-difluorophenyl)methyl]-2-methoxy-4-methylaniline
CID 103852096
N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-methylaniline
CID 55040204
4-[(2-methoxy-4-methylanilino)methyl]-2,6-dimethylphenol
CID 60931109

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline?
The IUPAC name of 2-methoxy-4-methyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline (CID 60931237) is 2-methoxy-4-methyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline.
What is the SMILES notation for 2-methoxy-4-methyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline?
The canonical SMILES for 2-methoxy-4-methyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline is C=CCOc1ccc(CNc2ccc(C)cc2OC)cc1.
What is the InChIKey of 2-methoxy-4-methyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline?
The InChIKey is QRWSBCAWTPEPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-4-11-21-16-8-6-15(7-9-16)13-19-17-10-5-14(2)12-18(17)20-3/h4-10,12,19H,1,11,13H2,2-3H3.
What are the key properties of 2-methoxy-4-methyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline?
2-methoxy-4-methyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline has a molecular weight of 283.37 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline is sourced from PubChem (CID 60931237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).