N-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-N-methylmethanamine

C14H15N3O4 — CID 3674969

IUPACN-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-N-methylmethanamine
SMILESCOc1ccc(-c2ccc(C=NN(C)C)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H15N3O4/c1-16(2)15-9-11-5-7-14(21-11)12-6-4-10(20-3)8-13(12)17(18)19/h4-9H,1-3H3
InChIKeyVXKPJQXGIUPWJT-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.76
Rot. Bonds5

About N-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-N-methylmethanamine

N-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-N-methylmethanamine (PubChem CID 3674969) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-N-methylmethanamine
PubChem CID3674969
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC NameN-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-N-methylmethanamine
SMILESCOc1ccc(-c2ccc(C=NN(C)C)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H15N3O4/c1-16(2)15-9-11-5-7-14(21-11)12-6-4-10(20-3)8-13(12)17(18)19/h4-9H,1-3H3
InChIKeyVXKPJQXGIUPWJT-UHFFFAOYSA-N
XLogP2.76
TPSA81.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.76
H-Bond Donors ≤ 50
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

2-(4-methoxy-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan
CID 40567403
2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylphenol
CID 50884274
3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]prop-2-enoic acid
CID 53395882
2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]propanedinitrile
CID 4910648
2-hydroxy-4-methoxy-N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 126395548
N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide
CID 6005479
4-bromo-N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 126338945
1-(3,4-dimethoxyphenyl)-N-[(E)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]methanamine
CID 133168939
4-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione
CID 5473247
(1R,2S,6R,7R)-4-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 22525501
(1R,2R,6S,7R)-4-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 98645337
6-N-(4-fluorophenyl)-4-N-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 3111792

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-N-methylmethanamine?
The IUPAC name of N-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-N-methylmethanamine (CID 3674969) is N-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-N-methylmethanamine.
What is the SMILES notation for N-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-N-methylmethanamine?
The canonical SMILES for N-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-N-methylmethanamine is COc1ccc(-c2ccc(C=NN(C)C)o2)c([N+](=O)[O-])c1.
What is the InChIKey of N-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-N-methylmethanamine?
The InChIKey is VXKPJQXGIUPWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-16(2)15-9-11-5-7-14(21-11)12-6-4-10(20-3)8-13(12)17(18)19/h4-9H,1-3H3.
What are the key properties of N-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-N-methylmethanamine?
N-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-N-methylmethanamine has a molecular weight of 289.29 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-N-methylmethanamine is sourced from PubChem (CID 3674969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).