N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-methylaniline

C19H17ClN2O2 — CID 56695507

IUPACN-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-methylaniline
SMILESCOc1ccc(-c2ccc(/C=N/Nc3ccccc3C)o2)cc1Cl
InChIInChI=1S/C19H17ClN2O2/c1-13-5-3-4-6-17(13)22-21-12-15-8-10-18(24-15)14-7-9-19(23-2)16(20)11-14/h3-12,22H,1-2H3/b21-12+
InChIKeyWOIQXKHUMYILHY-CIAFOILYSA-N
MW340.81 g/mol
LogP5.36
Rot. Bonds5

About N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-methylaniline

N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-methylaniline (PubChem CID 56695507) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-methylaniline.

Molecular Properties

Compound NameN-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-methylaniline
PubChem CID56695507
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC NameN-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-methylaniline
SMILESCOc1ccc(-c2ccc(/C=N/Nc3ccccc3C)o2)cc1Cl
InChIInChI=1S/C19H17ClN2O2/c1-13-5-3-4-6-17(13)22-21-12-15-8-10-18(24-15)14-7-9-19(23-2)16(20)11-14/h3-12,22H,1-2H3/b21-12+
InChIKeyWOIQXKHUMYILHY-CIAFOILYSA-N
XLogP5.36
TPSA46.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.81
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-nitroaniline
CID 2837615
N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245729
N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-(2-methoxyanilino)acetamide
CID 50930000
N-[(Z)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(2,4-dimethylphenoxy)acetamide
CID 50929945
N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
CID 92658220
N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(3-methylphenoxy)acetamide
CID 5333657
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2837251
2-chloro-4-[5-[[(2-methylphenyl)carbamoylhydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 3269130
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide
CID 1041488
N-[(Z)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(2,5-dichlorophenoxy)acetamide
CID 50929978
3-chloro-4-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]aniline
CID 110505388
N'-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-N-(2,5-dimethoxyphenyl)oxamide
CID 94837523

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-methylaniline?
The IUPAC name of N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-methylaniline (CID 56695507) is N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-methylaniline.
What is the SMILES notation for N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-methylaniline?
The canonical SMILES for N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-methylaniline is COc1ccc(-c2ccc(/C=N/Nc3ccccc3C)o2)cc1Cl.
What is the InChIKey of N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-methylaniline?
The InChIKey is WOIQXKHUMYILHY-CIAFOILYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-13-5-3-4-6-17(13)22-21-12-15-8-10-18(24-15)14-7-9-19(23-2)16(20)11-14/h3-12,22H,1-2H3/b21-12+.
What are the key properties of N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-methylaniline?
N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-methylaniline has a molecular weight of 340.81 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-methylaniline is sourced from PubChem (CID 56695507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).