4-methoxy-N-[2-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline

C19H23NO2 — CID 122380184

IUPAC4-methoxy-N-[2-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline
SMILESC=CC(C)(CNc1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C19H23NO2/c1-5-19(2,15-6-10-17(21-3)11-7-15)14-20-16-8-12-18(22-4)13-9-16/h5-13,20H,1,14H2,2-4H3
InChIKeyOEOKXBMAHJQTHT-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.26
Rot. Bonds7

About 4-methoxy-N-[2-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline

4-methoxy-N-[2-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline (PubChem CID 122380184) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-methoxy-N-[2-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-[2-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline
PubChem CID122380184
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name4-methoxy-N-[2-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline
SMILESC=CC(C)(CNc1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C19H23NO2/c1-5-19(2,15-6-10-17(21-3)11-7-15)14-20-16-8-12-18(22-4)13-9-16/h5-13,20H,1,14H2,2-4H3
InChIKeyOEOKXBMAHJQTHT-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-(2,2,2-trifluoroethyl)aniline
CID 28585897
2-(4-methoxyanilino)-1,1-diphenylethanol
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2-fluoro-3-(4-methoxyanilino)-2-methylpropanoic acid
CID 105484472
N-ethyl-4-methoxyaniline;molecular hydrogen
CID 142256400
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)aniline
CID 63535943
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-4-methoxybenzamide
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N-(4-methoxyphenyl)-4-(prop-2-enoylamino)benzamide
CID 166403507
1-[(3S)-3-methylpent-1-en-3-yl]-4-(trifluoromethoxy)benzene
CID 169282336
6-methoxy-N-(2,2,2-trifluoroethyl)naphthalen-2-amine
CID 115257711
1-(3-methylpent-1-en-3-yl)-4-(trifluoromethoxy)benzene
CID 170248741
(4-ethenylphenyl)-bis(4-methoxyphenyl)methanol
CID 101342310
buta-1,3-diene;(Z)-but-2-ene;ethane;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene
CID 144595651

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline?
The IUPAC name of 4-methoxy-N-[2-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline (CID 122380184) is 4-methoxy-N-[2-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline.
What is the SMILES notation for 4-methoxy-N-[2-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline?
The canonical SMILES for 4-methoxy-N-[2-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline is C=CC(C)(CNc1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-[2-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline?
The InChIKey is OEOKXBMAHJQTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-5-19(2,15-6-10-17(21-3)11-7-15)14-20-16-8-12-18(22-4)13-9-16/h5-13,20H,1,14H2,2-4H3.
What are the key properties of 4-methoxy-N-[2-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline?
4-methoxy-N-[2-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline has a molecular weight of 297.40 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline is sourced from PubChem (CID 122380184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).