1-(4-propan-2-ylphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine

C18H18Cl3N — CID 22483328

IUPAC1-(4-propan-2-ylphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine
SMILESCC(C)c1ccc(/C=N/C(C)c2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H18Cl3N/c1-11(2)14-6-4-13(5-7-14)10-22-12(3)18-16(20)8-15(19)9-17(18)21/h4-12H,1-3H3/b22-10+
InChIKeyOOQPHSGNKVRLCD-LSHDLFTRSA-N
MW354.71 g/mol
LogP6.95
Rot. Bonds4

About 1-(4-propan-2-ylphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine

1-(4-propan-2-ylphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine (PubChem CID 22483328) has the molecular formula C18H18Cl3N and a molecular weight of 354.71 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine
PubChem CID22483328
Molecular FormulaC18H18Cl3N
Molecular Weight354.71 g/mol
Exact Mass353.05
IUPAC Name1-(4-propan-2-ylphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine
SMILESCC(C)c1ccc(/C=N/C(C)c2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H18Cl3N/c1-11(2)14-6-4-13(5-7-14)10-22-12(3)18-16(20)8-15(19)9-17(18)21/h4-12H,1-3H3/b22-10+
InChIKeyOOQPHSGNKVRLCD-LSHDLFTRSA-N
XLogP6.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.71
LogP ≤ 56.95
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-(3-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine
CID 22482993
1-(2-methoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine
CID 22483125
1-(4-chlorophenyl)-N-propan-2-ylmethanimine
CID 11622447
1-(2-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine
CID 22483201
N-[1-(2,6-dichlorophenyl)ethyl]-1-(3-phenylphenyl)methanimine
CID 22483135
2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(2,4,6-trichlorophenyl)acetamide
CID 7702368
1-(4-propan-2-ylphenyl)-N-[3-[(4-propan-2-ylphenyl)methylideneamino]propyl]methanimine
CID 139241248
(E)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]ethanimine
CID 134096569
N-[1-(2-chlorophenyl)ethyl]-1-(4-methylphenyl)methanimine
CID 22483225
(Z)-1-(4-propan-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 5403379
4-chloro-N-[(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide
CID 5186427
N-[1-(2-chlorophenyl)ethyl]-1-(4-phenylphenyl)methanimine
CID 22483010

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine?
The IUPAC name of 1-(4-propan-2-ylphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine (CID 22483328) is 1-(4-propan-2-ylphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine?
The canonical SMILES for 1-(4-propan-2-ylphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine is CC(C)c1ccc(/C=N/C(C)c2c(Cl)cc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine?
The InChIKey is OOQPHSGNKVRLCD-LSHDLFTRSA-N. The full InChI is InChI=1S/C18H18Cl3N/c1-11(2)14-6-4-13(5-7-14)10-22-12(3)18-16(20)8-15(19)9-17(18)21/h4-12H,1-3H3/b22-10+.
What are the key properties of 1-(4-propan-2-ylphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine?
1-(4-propan-2-ylphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine has a molecular weight of 354.71 g/mol, XLogP of 6.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine is sourced from PubChem (CID 22483328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).