N-[2-(3-chloro-2-methylphenyl)ethyl]-1-(2,4-dichlorophenyl)methanimine

C16H14Cl3N — CID 14599842

IUPACN-[2-(3-chloro-2-methylphenyl)ethyl]-1-(2,4-dichlorophenyl)methanimine
SMILESCc1c(Cl)cccc1CC/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl3N/c1-11-12(3-2-4-15(11)18)7-8-20-10-13-5-6-14(17)9-16(13)19/h2-6,9-10H,7-8H2,1H3/b20-10+
InChIKeyAQGMMXLCELZQIT-KEBDBYFISA-N
MW326.65 g/mol
LogP5.62
Rot. Bonds4

About N-[2-(3-chloro-2-methylphenyl)ethyl]-1-(2,4-dichlorophenyl)methanimine

N-[2-(3-chloro-2-methylphenyl)ethyl]-1-(2,4-dichlorophenyl)methanimine (PubChem CID 14599842) has the molecular formula C16H14Cl3N and a molecular weight of 326.65 g/mol. Its IUPAC name is N-[2-(3-chloro-2-methylphenyl)ethyl]-1-(2,4-dichlorophenyl)methanimine.

Molecular Properties

Compound NameN-[2-(3-chloro-2-methylphenyl)ethyl]-1-(2,4-dichlorophenyl)methanimine
PubChem CID14599842
Molecular FormulaC16H14Cl3N
Molecular Weight326.65 g/mol
Exact Mass325.02
IUPAC NameN-[2-(3-chloro-2-methylphenyl)ethyl]-1-(2,4-dichlorophenyl)methanimine
SMILESCc1c(Cl)cccc1CC/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl3N/c1-11-12(3-2-4-15(11)18)7-8-20-10-13-5-6-14(17)9-16(13)19/h2-6,9-10H,7-8H2,1H3/b20-10+
InChIKeyAQGMMXLCELZQIT-KEBDBYFISA-N
XLogP5.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.65
LogP ≤ 55.62
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-(2,4-dichlorophenyl)-N-pent-2-ynylmethanimine
CID 18915507
1-(2,4-dichlorophenyl)-N-[2-[(2,4-dichlorophenyl)methylideneamino]propyl]methanimine
CID 2835360
N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]butanediamide
CID 6115400
4-(3-chloro-2-methylphenyl)butan-1-amine
CID 82282104
1-(2,4-dichlorophenyl)-N-(2,2-diethoxyethyl)methanimine
CID 170944157
N-[(2,4-dichlorophenyl)methylideneamino]methanamine
CID 67650124
1-(2,4-dichlorophenyl)-N-(4-methyl-2-pyridinyl)methanimine
CID 132602552
1-(3-chlorophenyl)-3-[(2,4-dichlorophenyl)methylideneamino]thiourea
CID 3851146
[3-[(2,4-dichlorophenyl)methylideneamino]phenyl]methanol
CID 793154
2-[2-(3-chlorophenyl)ethyliminomethyl]-6-methoxyphenol
CID 135757817
2-[(2-chlorophenyl)methyl]-4-[(E)-(2,4-dichlorophenyl)methylideneamino]-1,2,4-triazole-3-thione
CID 6900289
2-[(Z)-(2,4-dichlorophenyl)methylideneamino]isoindole-1,3-dione
CID 5392488

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-2-methylphenyl)ethyl]-1-(2,4-dichlorophenyl)methanimine?
The IUPAC name of N-[2-(3-chloro-2-methylphenyl)ethyl]-1-(2,4-dichlorophenyl)methanimine (CID 14599842) is N-[2-(3-chloro-2-methylphenyl)ethyl]-1-(2,4-dichlorophenyl)methanimine.
What is the SMILES notation for N-[2-(3-chloro-2-methylphenyl)ethyl]-1-(2,4-dichlorophenyl)methanimine?
The canonical SMILES for N-[2-(3-chloro-2-methylphenyl)ethyl]-1-(2,4-dichlorophenyl)methanimine is Cc1c(Cl)cccc1CC/N=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(3-chloro-2-methylphenyl)ethyl]-1-(2,4-dichlorophenyl)methanimine?
The InChIKey is AQGMMXLCELZQIT-KEBDBYFISA-N. The full InChI is InChI=1S/C16H14Cl3N/c1-11-12(3-2-4-15(11)18)7-8-20-10-13-5-6-14(17)9-16(13)19/h2-6,9-10H,7-8H2,1H3/b20-10+.
What are the key properties of N-[2-(3-chloro-2-methylphenyl)ethyl]-1-(2,4-dichlorophenyl)methanimine?
N-[2-(3-chloro-2-methylphenyl)ethyl]-1-(2,4-dichlorophenyl)methanimine has a molecular weight of 326.65 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-2-methylphenyl)ethyl]-1-(2,4-dichlorophenyl)methanimine is sourced from PubChem (CID 14599842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).