N-[3-(2-methoxyphenyl)prop-2-enylideneamino]-N-methylaniline

C17H18N2O — CID 70554850

IUPACN-[3-(2-methoxyphenyl)prop-2-enylideneamino]-N-methylaniline
SMILESCOc1ccccc1C=CC=NN(C)c1ccccc1
InChIInChI=1S/C17H18N2O/c1-19(16-11-4-3-5-12-16)18-14-8-10-15-9-6-7-13-17(15)20-2/h3-14H,1-2H3
InChIKeyYDUDADCEIWJDHR-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.83
Rot. Bonds5

About N-[3-(2-methoxyphenyl)prop-2-enylideneamino]-N-methylaniline

N-[3-(2-methoxyphenyl)prop-2-enylideneamino]-N-methylaniline (PubChem CID 70554850) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)prop-2-enylideneamino]-N-methylaniline.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)prop-2-enylideneamino]-N-methylaniline
PubChem CID70554850
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-[3-(2-methoxyphenyl)prop-2-enylideneamino]-N-methylaniline
SMILESCOc1ccccc1C=CC=NN(C)c1ccccc1
InChIInChI=1S/C17H18N2O/c1-19(16-11-4-3-5-12-16)18-14-8-10-15-9-6-7-13-17(15)20-2/h3-14H,1-2H3
InChIKeyYDUDADCEIWJDHR-UHFFFAOYSA-N
XLogP3.83
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-benzhydryl-3-(2-methoxyphenyl)prop-2-en-1-imine
CID 101022978
1-[(1E,3E)-4-bromobuta-1,3-dienyl]-2-methoxybenzene
CID 177481549
2,6-dimethoxy-4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol
CID 135779670
1-(2-fluoroethenyl)-2-methoxybenzene
CID 134862998
3-(2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine
CID 2875481
[3-(2-methoxyphenyl)prop-2-enylideneamino]thiourea
CID 57221575
2-[[methyl(phenyl)hydrazinylidene]methyl]-N,N-diphenylaniline
CID 71246235
(E)-N-[2-(ethenylideneamino)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-imine
CID 101072147
1-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-methylthiourea
CID 9071920
1,1'-biphenyl;1-ethenyl-2-methoxybenzene
CID 158702776
1-[(E)-3,3-dimethylbut-1-enyl]-2-methoxybenzene
CID 10375267
(Z)-4-(2-methoxyphenyl)but-3-en-1-ol
CID 11789784

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)prop-2-enylideneamino]-N-methylaniline?
The IUPAC name of N-[3-(2-methoxyphenyl)prop-2-enylideneamino]-N-methylaniline (CID 70554850) is N-[3-(2-methoxyphenyl)prop-2-enylideneamino]-N-methylaniline.
What is the SMILES notation for N-[3-(2-methoxyphenyl)prop-2-enylideneamino]-N-methylaniline?
The canonical SMILES for N-[3-(2-methoxyphenyl)prop-2-enylideneamino]-N-methylaniline is COc1ccccc1C=CC=NN(C)c1ccccc1.
What is the InChIKey of N-[3-(2-methoxyphenyl)prop-2-enylideneamino]-N-methylaniline?
The InChIKey is YDUDADCEIWJDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-19(16-11-4-3-5-12-16)18-14-8-10-15-9-6-7-13-17(15)20-2/h3-14H,1-2H3.
What are the key properties of N-[3-(2-methoxyphenyl)prop-2-enylideneamino]-N-methylaniline?
N-[3-(2-methoxyphenyl)prop-2-enylideneamino]-N-methylaniline has a molecular weight of 266.34 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)prop-2-enylideneamino]-N-methylaniline is sourced from PubChem (CID 70554850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).