2,4-dimethoxy-N-[(E)-3-phenylprop-2-enyl]aniline

C17H19NO2 — CID 11414530

IUPAC2,4-dimethoxy-N-[(E)-3-phenylprop-2-enyl]aniline
SMILESCOc1ccc(NC/C=C/c2ccccc2)c(OC)c1
InChIInChI=1S/C17H19NO2/c1-19-15-10-11-16(17(13-15)20-2)18-12-6-9-14-7-4-3-5-8-14/h3-11,13,18H,12H2,1-2H3/b9-6+
InChIKeyHXJZSHROQUUCBP-RMKNXTFCSA-N
MW269.34 g/mol
LogP3.83
Rot. Bonds6

About 2,4-dimethoxy-N-[(E)-3-phenylprop-2-enyl]aniline

2,4-dimethoxy-N-[(E)-3-phenylprop-2-enyl]aniline (PubChem CID 11414530) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[(E)-3-phenylprop-2-enyl]aniline.

Molecular Properties

Compound Name2,4-dimethoxy-N-[(E)-3-phenylprop-2-enyl]aniline
PubChem CID11414530
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2,4-dimethoxy-N-[(E)-3-phenylprop-2-enyl]aniline
SMILESCOc1ccc(NC/C=C/c2ccccc2)c(OC)c1
InChIInChI=1S/C17H19NO2/c1-19-15-10-11-16(17(13-15)20-2)18-12-6-9-14-7-4-3-5-8-14/h3-11,13,18H,12H2,1-2H3/b9-6+
InChIKeyHXJZSHROQUUCBP-RMKNXTFCSA-N
XLogP3.83
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-methoxy-N-(3-phenylprop-2-enyl)aniline
CID 76997582
4-methoxy-3-[[(E)-3-phenylprop-2-enyl]amino]benzoic acid
CID 17058701
1-(2,4-dimethoxyanilino)-2-phenylpropan-2-ol
CID 62375323
N-(2,4-dimethoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 108990292
N-(2,4-dimethoxyphenyl)-2-methyl-3-phenylprop-2-enamide
CID 889648
(Z)-2-bromo-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 1192033
(E)-2-cyano-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 19169431
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
2,4-dimethoxy-N-methylaniline;ethane
CID 143206191
N-[(2-aminophenyl)methyl]-2,4-dimethoxyaniline
CID 66385425
1,3,5-trimethoxy-2-(2-phenylethenyl)benzene
CID 3809571

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[(E)-3-phenylprop-2-enyl]aniline?
The IUPAC name of 2,4-dimethoxy-N-[(E)-3-phenylprop-2-enyl]aniline (CID 11414530) is 2,4-dimethoxy-N-[(E)-3-phenylprop-2-enyl]aniline.
What is the SMILES notation for 2,4-dimethoxy-N-[(E)-3-phenylprop-2-enyl]aniline?
The canonical SMILES for 2,4-dimethoxy-N-[(E)-3-phenylprop-2-enyl]aniline is COc1ccc(NC/C=C/c2ccccc2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[(E)-3-phenylprop-2-enyl]aniline?
The InChIKey is HXJZSHROQUUCBP-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H19NO2/c1-19-15-10-11-16(17(13-15)20-2)18-12-6-9-14-7-4-3-5-8-14/h3-11,13,18H,12H2,1-2H3/b9-6+.
What are the key properties of 2,4-dimethoxy-N-[(E)-3-phenylprop-2-enyl]aniline?
2,4-dimethoxy-N-[(E)-3-phenylprop-2-enyl]aniline has a molecular weight of 269.34 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[(E)-3-phenylprop-2-enyl]aniline is sourced from PubChem (CID 11414530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).