N-(4-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine

C13H12ClNO — CID 956116

IUPACN-(4-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine
SMILESCc1cc(/C=N/c2ccc(Cl)cc2)c(C)o1
InChIInChI=1S/C13H12ClNO/c1-9-7-11(10(2)16-9)8-15-13-5-3-12(14)4-6-13/h3-8H,1-2H3/b15-8+
InChIKeyNAMNHABIKNQJHA-OVCLIPMQSA-N
MW233.70 g/mol
LogP4.30
Rot. Bonds2

About N-(4-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine

N-(4-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine (PubChem CID 956116) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine
PubChem CID956116
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC NameN-(4-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine
SMILESCc1cc(/C=N/c2ccc(Cl)cc2)c(C)o1
InChIInChI=1S/C13H12ClNO/c1-9-7-11(10(2)16-9)8-15-13-5-3-12(14)4-6-13/h3-8H,1-2H3/b15-8+
InChIKeyNAMNHABIKNQJHA-OVCLIPMQSA-N
XLogP4.30
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-Furfurylidene-M-toluidine
CID 5046711
N-(4-chlorophenyl)-1-(furan-2-yl)methanimine oxide
CID 886509
(Z)-2-methyl-N-((5-methylfuran-2-yl)methylene)aniline oxide
CID 5890581
N-furfurylidene-p-toluidine
CID 899953
4-Chloro-N-(furfurylidene)aniline
CID 964631
3-(Trifluoromethyl)-N-(5-methylfurfurylidene)aniline
CID 4134232
N-[(E)-furan-2-ylmethylidene]-2-methylaniline
CID 684233
Benzenamine, 4-chloro-N-[(5-methyl-2-furanyl)methylene]-
CID 794848
4-methyl-N-[(E)-(5-methylfuran-2-yl)methylidene]aniline
CID 794972
N-(4-fluorophenyl)-1-(5-methylfuran-2-yl)methanimine
CID 794165
N-(5-methyl-2-furylmethylidene)-2-trifluoromethylaniline
CID 12032359
N-[3-(5-methyl-2-furyl)-2-propenylidene]-4-trifluoromethylaniline
CID 12124336

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine?
The IUPAC name of N-(4-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine (CID 956116) is N-(4-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine.
What is the SMILES notation for N-(4-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine?
The canonical SMILES for N-(4-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine is Cc1cc(/C=N/c2ccc(Cl)cc2)c(C)o1.
What is the InChIKey of N-(4-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine?
The InChIKey is NAMNHABIKNQJHA-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-9-7-11(10(2)16-9)8-15-13-5-3-12(14)4-6-13/h3-8H,1-2H3/b15-8+.
What are the key properties of N-(4-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine?
N-(4-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine has a molecular weight of 233.70 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine is sourced from PubChem (CID 956116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).