2-ethyl-6-methyl-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline

C20H19N3O3 — CID 14956043

IUPAC2-ethyl-6-methyl-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline
SMILESCCc1cccc(C)c1N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C20H19N3O3/c1-3-15-6-4-5-14(2)20(15)22-21-13-18-11-12-19(26-18)16-7-9-17(10-8-16)23(24)25/h4-13,22H,3H2,1-2H3/b21-13+
InChIKeyCRPGUNGOWWBFRL-FYJGNVAPSA-N
MW349.39 g/mol
LogP5.17
Rot. Bonds6

About 2-ethyl-6-methyl-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline

2-ethyl-6-methyl-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline (PubChem CID 14956043) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-ethyl-6-methyl-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline.

Molecular Properties

Compound Name2-ethyl-6-methyl-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline
PubChem CID14956043
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2-ethyl-6-methyl-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline
SMILESCCc1cccc(C)c1N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C20H19N3O3/c1-3-15-6-4-5-14(2)20(15)22-21-13-18-11-12-19(26-18)16-7-9-17(10-8-16)23(24)25/h4-13,22H,3H2,1-2H3/b21-13+
InChIKeyCRPGUNGOWWBFRL-FYJGNVAPSA-N
XLogP5.17
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.39
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-(2,6-dimethylphenyl)-3-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]thiourea
CID 7930544
2,3,5,6-tetrafluoro-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 4297577
N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acridin-9-amine
CID 44715002
4-iodo-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 11840307
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline
CID 5339495
2-(2,4-dimethylphenyl)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 92657666
N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 2313614
N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-4-propylbenzenesulfonamide
CID 22776098
(2S)-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-methyl-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pentanamide
CID 126018996
N-[(E)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-(4-nitrophenyl)acetamide
CID 21370500
N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 5333131
2-(4-methoxyphenyl)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 6897039

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline?
The IUPAC name of 2-ethyl-6-methyl-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline (CID 14956043) is 2-ethyl-6-methyl-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline.
What is the SMILES notation for 2-ethyl-6-methyl-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline?
The canonical SMILES for 2-ethyl-6-methyl-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline is CCc1cccc(C)c1N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1.
What is the InChIKey of 2-ethyl-6-methyl-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline?
The InChIKey is CRPGUNGOWWBFRL-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-3-15-6-4-5-14(2)20(15)22-21-13-18-11-12-19(26-18)16-7-9-17(10-8-16)23(24)25/h4-13,22H,3H2,1-2H3/b21-13+.
What are the key properties of 2-ethyl-6-methyl-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline?
2-ethyl-6-methyl-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline has a molecular weight of 349.39 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline is sourced from PubChem (CID 14956043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).