N-(4-chloro-2-methylphenyl)-1-(furan-2-yl)methanimine

C12H10ClNO — CID 831166

IUPACN-(4-chloro-2-methylphenyl)-1-(furan-2-yl)methanimine
SMILESCc1cc(Cl)ccc1/N=C/c1ccco1
InChIInChI=1S/C12H10ClNO/c1-9-7-10(13)4-5-12(9)14-8-11-3-2-6-15-11/h2-8H,1H3/b14-8+
InChIKeySHUKZXLFSAQWIM-RIYZIHGNSA-N
MW219.67 g/mol
LogP3.99
Rot. Bonds2

About N-(4-chloro-2-methylphenyl)-1-(furan-2-yl)methanimine

N-(4-chloro-2-methylphenyl)-1-(furan-2-yl)methanimine (PubChem CID 831166) has the molecular formula C12H10ClNO and a molecular weight of 219.67 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-1-(furan-2-yl)methanimine.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-1-(furan-2-yl)methanimine
PubChem CID831166
Molecular FormulaC12H10ClNO
Molecular Weight219.67 g/mol
Exact Mass219.05
IUPAC NameN-(4-chloro-2-methylphenyl)-1-(furan-2-yl)methanimine
SMILESCc1cc(Cl)ccc1/N=C/c1ccco1
InChIInChI=1S/C12H10ClNO/c1-9-7-10(13)4-5-12(9)14-8-11-3-2-6-15-11/h2-8H,1H3/b14-8+
InChIKeySHUKZXLFSAQWIM-RIYZIHGNSA-N
XLogP3.99
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-1-(furan-2-yl)methanimine?
The IUPAC name of N-(4-chloro-2-methylphenyl)-1-(furan-2-yl)methanimine (CID 831166) is N-(4-chloro-2-methylphenyl)-1-(furan-2-yl)methanimine.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-1-(furan-2-yl)methanimine?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-1-(furan-2-yl)methanimine is Cc1cc(Cl)ccc1/N=C/c1ccco1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-1-(furan-2-yl)methanimine?
The InChIKey is SHUKZXLFSAQWIM-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H10ClNO/c1-9-7-10(13)4-5-12(9)14-8-11-3-2-6-15-11/h2-8H,1H3/b14-8+.
What are the key properties of N-(4-chloro-2-methylphenyl)-1-(furan-2-yl)methanimine?
N-(4-chloro-2-methylphenyl)-1-(furan-2-yl)methanimine has a molecular weight of 219.67 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-1-(furan-2-yl)methanimine is sourced from PubChem (CID 831166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).