N-[(2-chlorophenyl)methyl]-1-(2,4-difluoro-6-methylphenyl)methanimine

C15H12ClF2N — CID 102159889

IUPACN-[(2-chlorophenyl)methyl]-1-(2,4-difluoro-6-methylphenyl)methanimine
SMILESCc1cc(F)cc(F)c1/C=N/Cc1ccccc1Cl
InChIInChI=1S/C15H12ClF2N/c1-10-6-12(17)7-15(18)13(10)9-19-8-11-4-2-3-5-14(11)16/h2-7,9H,8H2,1H3/b19-9+
InChIKeyZVVGSPZTXDARRS-DJKKODMXSA-N
MW279.72 g/mol
LogP4.55
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-1-(2,4-difluoro-6-methylphenyl)methanimine

N-[(2-chlorophenyl)methyl]-1-(2,4-difluoro-6-methylphenyl)methanimine (PubChem CID 102159889) has the molecular formula C15H12ClF2N and a molecular weight of 279.72 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(2,4-difluoro-6-methylphenyl)methanimine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(2,4-difluoro-6-methylphenyl)methanimine
PubChem CID102159889
Molecular FormulaC15H12ClF2N
Molecular Weight279.72 g/mol
Exact Mass279.06
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(2,4-difluoro-6-methylphenyl)methanimine
SMILESCc1cc(F)cc(F)c1/C=N/Cc1ccccc1Cl
InChIInChI=1S/C15H12ClF2N/c1-10-6-12(17)7-15(18)13(10)9-19-8-11-4-2-3-5-14(11)16/h2-7,9H,8H2,1H3/b19-9+
InChIKeyZVVGSPZTXDARRS-DJKKODMXSA-N
XLogP4.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 54.55
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

N-[(2-chlorophenyl)methyl]-1-(2,4-difluoro-6-methoxyphenyl)methanimine
CID 101462836
2-[1-chloro-2-(2-chlorophenyl)ethyl]-1,3,5-trifluorobenzene
CID 63430256
2-(2-chlorophenyl)-1-(2,4,6-trifluorophenyl)ethanone
CID 43160565
2-(2-chlorophenyl)-1-(2,4,6-trifluorophenyl)ethanol
CID 61086934
2-(2-chlorophenyl)-N-methylethanimine
CID 143112738
1-[(2-chlorophenyl)methyl]-2-fluoro-3-methylbenzene
CID 130411639
4-chloro-2-[(2-chlorophenyl)methyl]-1-methylbenzene
CID 90782927
1-(2-chlorophenyl)-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347786
2-[(2-chlorophenyl)methyl]-3-(4-fluoro-2-methylphenyl)-N-methylpropan-1-amine
CID 114348813
1-chloro-2-(2-chloroethyl)benzene
CID 12587535
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2-chlorophenyl)ethanone
CID 81045569
4-[(2-chlorophenyl)methyliminomethyl]-3-hydroxy-1,2-dihydropyrrol-5-one
CID 136711594

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(2,4-difluoro-6-methylphenyl)methanimine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(2,4-difluoro-6-methylphenyl)methanimine (CID 102159889) is N-[(2-chlorophenyl)methyl]-1-(2,4-difluoro-6-methylphenyl)methanimine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(2,4-difluoro-6-methylphenyl)methanimine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(2,4-difluoro-6-methylphenyl)methanimine is Cc1cc(F)cc(F)c1/C=N/Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(2,4-difluoro-6-methylphenyl)methanimine?
The InChIKey is ZVVGSPZTXDARRS-DJKKODMXSA-N. The full InChI is InChI=1S/C15H12ClF2N/c1-10-6-12(17)7-15(18)13(10)9-19-8-11-4-2-3-5-14(11)16/h2-7,9H,8H2,1H3/b19-9+.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(2,4-difluoro-6-methylphenyl)methanimine?
N-[(2-chlorophenyl)methyl]-1-(2,4-difluoro-6-methylphenyl)methanimine has a molecular weight of 279.72 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(2,4-difluoro-6-methylphenyl)methanimine is sourced from PubChem (CID 102159889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).