1-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)methanimine

C14H11ClFN — CID 918906

IUPAC1-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)methanimine
SMILESCc1ccc(/N=C/c2c(F)cccc2Cl)cc1
InChIInChI=1S/C14H11ClFN/c1-10-5-7-11(8-6-10)17-9-12-13(15)3-2-4-14(12)16/h2-9H,1H3/b17-9+
InChIKeySGHYTVYYNVOBCN-RQZCQDPDSA-N
MW247.70 g/mol
LogP4.54
Rot. Bonds2

About 1-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)methanimine

1-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)methanimine (PubChem CID 918906) has the molecular formula C14H11ClFN and a molecular weight of 247.70 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)methanimine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)methanimine
PubChem CID918906
Molecular FormulaC14H11ClFN
Molecular Weight247.70 g/mol
Exact Mass247.06
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)methanimine
SMILESCc1ccc(/N=C/c2c(F)cccc2Cl)cc1
InChIInChI=1S/C14H11ClFN/c1-10-5-7-11(8-6-10)17-9-12-13(15)3-2-4-14(12)16/h2-9H,1H3/b17-9+
InChIKeySGHYTVYYNVOBCN-RQZCQDPDSA-N
XLogP4.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-3,6-difluorophenyl)-N-(4-methylphenyl)methanimine
CID 134343177
1-(2-chloro-6-fluorophenyl)-N-methylmethanimine
CID 18736702
3-chloro-N-(4-methylphenyl)-2-[(4-methylphenyl)iminomethyl]aniline
CID 122382260
1-(2,6-dichlorophenyl)-N-(4-methoxyphenyl)methanimine
CID 927293
1-(2,6-dichlorophenyl)-N-(4-phenyldiazenylphenyl)methanimine
CID 4505752
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 42336365
4-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
CID 6862594
N-[(2-chloro-6-fluorophenyl)methylideneamino]acetamide
CID 4166236
4-[(2,6-dichlorophenyl)methylideneamino]-N-phenylaniline
CID 4506432
N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-methylaniline
CID 9059516
amino N-[1-[3-[(2-chloro-6-fluorophenyl)methylideneamino]phenyl]ethenyl]methanimidate
CID 89234220
N-(4-methylphenyl)-1-[4-[(4-methylphenyl)iminomethyl]phenyl]methanimine
CID 1284722

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)methanimine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)methanimine (CID 918906) is 1-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)methanimine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)methanimine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)methanimine is Cc1ccc(/N=C/c2c(F)cccc2Cl)cc1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)methanimine?
The InChIKey is SGHYTVYYNVOBCN-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H11ClFN/c1-10-5-7-11(8-6-10)17-9-12-13(15)3-2-4-14(12)16/h2-9H,1H3/b17-9+.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)methanimine?
1-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)methanimine has a molecular weight of 247.70 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)methanimine is sourced from PubChem (CID 918906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).