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

C19H17FN2O2 — CID 17245713

IUPACN-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1CN/N=C/c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C19H17FN2O2/c1-23-18-5-3-2-4-15(18)12-21-22-13-17-10-11-19(24-17)14-6-8-16(20)9-7-14/h2-11,13,21H,12H2,1H3/b22-13+
InChIKeyXFHVLCXZMSGKOA-LPYMAVHISA-N
MW324.36 g/mol
LogP4.22
Rot. Bonds6

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

N-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine (PubChem CID 17245713) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is N-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine
PubChem CID17245713
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC NameN-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1CN/N=C/c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C19H17FN2O2/c1-23-18-5-3-2-4-15(18)12-21-22-13-17-10-11-19(24-17)14-6-8-16(20)9-7-14/h2-11,13,21H,12H2,1H3/b22-13+
InChIKeyXFHVLCXZMSGKOA-LPYMAVHISA-N
XLogP4.22
TPSA46.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 54.22
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'}

Analyze N-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine 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-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245729
N-[(Z)-(4-fluorophenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147731
1-(2-methoxyphenyl)-N-[(E)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]methanamine
CID 17245724
N-[(E)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245726
N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
CID 3439847
N-[(Z)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147688
N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3877288
1-(3,4-dimethoxyphenyl)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]methanamine
CID 92658226
N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
CID 92658220
N-[(E)-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245918
N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245785
N-[(E)-(3-bromophenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245736

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine?
The IUPAC name of N-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine (CID 17245713) is N-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine.
What is the SMILES notation for N-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine?
The canonical SMILES for N-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine is COc1ccccc1CN/N=C/c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine?
The InChIKey is XFHVLCXZMSGKOA-LPYMAVHISA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-23-18-5-3-2-4-15(18)12-21-22-13-17-10-11-19(24-17)14-6-8-16(20)9-7-14/h2-11,13,21H,12H2,1H3/b22-13+.
What are the key properties of N-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine?
N-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine has a molecular weight of 324.36 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine is sourced from PubChem (CID 17245713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).