N-[(5-methylfuran-2-yl)methylideneamino]-N-phenylaniline

C18H16N2O — CID 4652420

IUPACN-[(5-methylfuran-2-yl)methylideneamino]-N-phenylaniline
SMILESCc1ccc(C=NN(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C18H16N2O/c1-15-12-13-18(21-15)14-19-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14H,1H3
InChIKeyAQSSDFDFBZJXNC-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.76
Rot. Bonds4

About N-[(5-methylfuran-2-yl)methylideneamino]-N-phenylaniline

N-[(5-methylfuran-2-yl)methylideneamino]-N-phenylaniline (PubChem CID 4652420) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methylideneamino]-N-phenylaniline.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methylideneamino]-N-phenylaniline
PubChem CID4652420
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC NameN-[(5-methylfuran-2-yl)methylideneamino]-N-phenylaniline
SMILESCc1ccc(C=NN(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C18H16N2O/c1-15-12-13-18(21-15)14-19-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14H,1H3
InChIKeyAQSSDFDFBZJXNC-UHFFFAOYSA-N
XLogP4.76
TPSA28.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.76
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'}

Analyze N-[(5-methylfuran-2-yl)methylideneamino]-N-phenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylideneamino]-N-phenylaniline
CID 3980654
N'-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenecarboximidamide
CID 22610708
N-[4-[(diphenylhydrazinylidene)methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 42614307
1-(5-methylfuran-2-yl)-N-phenylmethoxymethanimine
CID 75859441
4-[(E)-(diphenylhydrazinylidene)methyl]-3-methyl-N,N-diphenylaniline
CID 15044303
N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-N-phenylaniline
CID 6050776
N-[[10-[(E)-(diphenylhydrazinylidene)methyl]phenanthren-9-yl]methylideneamino]-N-phenylaniline
CID 172940453
N-methoxy-1-(5-methylfuran-2-yl)methanimine
CID 59990756
2-[(Z)-(5-methylfuran-2-yl)methylideneamino]guanidine
CID 71670100
5-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 110339348
(E)-1-(5-methylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
CID 6858623
N-methyl-N-[(5-methylfuran-2-yl)methylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine
CID 4614007

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methylideneamino]-N-phenylaniline?
The IUPAC name of N-[(5-methylfuran-2-yl)methylideneamino]-N-phenylaniline (CID 4652420) is N-[(5-methylfuran-2-yl)methylideneamino]-N-phenylaniline.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methylideneamino]-N-phenylaniline?
The canonical SMILES for N-[(5-methylfuran-2-yl)methylideneamino]-N-phenylaniline is Cc1ccc(C=NN(c2ccccc2)c2ccccc2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methylideneamino]-N-phenylaniline?
The InChIKey is AQSSDFDFBZJXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-15-12-13-18(21-15)14-19-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14H,1H3.
What are the key properties of N-[(5-methylfuran-2-yl)methylideneamino]-N-phenylaniline?
N-[(5-methylfuran-2-yl)methylideneamino]-N-phenylaniline has a molecular weight of 276.34 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methylideneamino]-N-phenylaniline is sourced from PubChem (CID 4652420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).