1-(2-methoxyphenyl)-N-[(E)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]methanamine

C20H19N3O4 — CID 17245724

IUPAC1-(2-methoxyphenyl)-N-[(E)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]methanamine
SMILESCOc1ccccc1CN/N=C/c1ccc(-c2ccc(C)c([N+](=O)[O-])c2)o1
InChIInChI=1S/C20H19N3O4/c1-14-7-8-15(11-18(14)23(24)25)20-10-9-17(27-20)13-22-21-12-16-5-3-4-6-19(16)26-2/h3-11,13,21H,12H2,1-2H3/b22-13+
InChIKeyOIEXRBZGCAZTRZ-LPYMAVHISA-N
MW365.39 g/mol
LogP4.30
Rot. Bonds7

About 1-(2-methoxyphenyl)-N-[(E)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]methanamine

1-(2-methoxyphenyl)-N-[(E)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]methanamine (PubChem CID 17245724) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[(E)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]methanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[(E)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]methanamine
PubChem CID17245724
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name1-(2-methoxyphenyl)-N-[(E)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]methanamine
SMILESCOc1ccccc1CN/N=C/c1ccc(-c2ccc(C)c([N+](=O)[O-])c2)o1
InChIInChI=1S/C20H19N3O4/c1-14-7-8-15(11-18(14)23(24)25)20-10-9-17(27-20)13-22-21-12-16-5-3-4-6-19(16)26-2/h3-11,13,21H,12H2,1-2H3/b22-13+
InChIKeyOIEXRBZGCAZTRZ-LPYMAVHISA-N
XLogP4.30
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245726
N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245729
N-[(Z)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147688
N-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245713
1-(3,4-dimethoxyphenyl)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]methanamine
CID 92658226
1-[[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylthiourea
CID 1209484
N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]naphthalene-1-carboxamide
CID 126183671
2-bromo-N-[(E)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 17245307
1-(2-methoxyphenyl)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]methanamine
CID 29147903
2-(4-fluoroanilino)-N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 126347116
N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 26368133
1-(2,6-dichlorophenyl)-N-[(E)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]methanamine
CID 19060034

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[(E)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]methanamine?
The IUPAC name of 1-(2-methoxyphenyl)-N-[(E)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]methanamine (CID 17245724) is 1-(2-methoxyphenyl)-N-[(E)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]methanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[(E)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]methanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[(E)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]methanamine is COc1ccccc1CN/N=C/c1ccc(-c2ccc(C)c([N+](=O)[O-])c2)o1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[(E)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]methanamine?
The InChIKey is OIEXRBZGCAZTRZ-LPYMAVHISA-N. The full InChI is InChI=1S/C20H19N3O4/c1-14-7-8-15(11-18(14)23(24)25)20-10-9-17(27-20)13-22-21-12-16-5-3-4-6-19(16)26-2/h3-11,13,21H,12H2,1-2H3/b22-13+.
What are the key properties of 1-(2-methoxyphenyl)-N-[(E)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]methanamine?
1-(2-methoxyphenyl)-N-[(E)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]methanamine has a molecular weight of 365.39 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[(E)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]methanamine is sourced from PubChem (CID 17245724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).