N-[1-(2-chlorophenyl)ethyl]-1-(2,4,6-trimethylphenyl)methanimine

C18H20ClN — CID 22483401

IUPACN-[1-(2-chlorophenyl)ethyl]-1-(2,4,6-trimethylphenyl)methanimine
SMILESCc1cc(C)c(/C=N/C(C)c2ccccc2Cl)c(C)c1
InChIInChI=1S/C18H20ClN/c1-12-9-13(2)17(14(3)10-12)11-20-15(4)16-7-5-6-8-18(16)19/h5-11,15H,1-4H3/b20-11+
InChIKeyAXRHNNWIUFRQGN-RGVLZGJSSA-N
MW285.82 g/mol
LogP5.45
Rot. Bonds3

About N-[1-(2-chlorophenyl)ethyl]-1-(2,4,6-trimethylphenyl)methanimine

N-[1-(2-chlorophenyl)ethyl]-1-(2,4,6-trimethylphenyl)methanimine (PubChem CID 22483401) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-1-(2,4,6-trimethylphenyl)methanimine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-1-(2,4,6-trimethylphenyl)methanimine
PubChem CID22483401
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-1-(2,4,6-trimethylphenyl)methanimine
SMILESCc1cc(C)c(/C=N/C(C)c2ccccc2Cl)c(C)c1
InChIInChI=1S/C18H20ClN/c1-12-9-13(2)17(14(3)10-12)11-20-15(4)16-7-5-6-8-18(16)19/h5-11,15H,1-4H3/b20-11+
InChIKeyAXRHNNWIUFRQGN-RGVLZGJSSA-N
XLogP5.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.82
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[1-(2-chlorophenyl)ethyl]-1-(2,4,6-trimethylphenyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-chlorophenyl)ethyl]-1-(4-methylphenyl)methanimine
CID 22483225
N-[1-(2-chlorophenyl)ethyl]-1-(4-phenylphenyl)methanimine
CID 22483010
(1R)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 81375595
N-[1-(2-chlorophenyl)ethyl]-1-(2-methoxyphenyl)methanimine
CID 22483144
N-[1-(2,4-diethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)methanimine
CID 22483109
1-(2-chlorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 22483271
N-[1-(2,4-dichlorophenyl)ethyl]-1-(2-phenylphenyl)methanimine
CID 22483294
N-[1-(2,4-diiodophenyl)ethyl]-1-(2,6-dimethylphenyl)methanimine
CID 22483055
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 81378158
1-chloro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene
CID 158048784
3-N-[1-(2-chlorophenyl)ethyl]-5-methylbenzene-1,3-diamine
CID 112647468
N-[1-(2,6-dichlorophenyl)ethyl]-1-(3-phenylphenyl)methanimine
CID 22483135

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-1-(2,4,6-trimethylphenyl)methanimine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-1-(2,4,6-trimethylphenyl)methanimine (CID 22483401) is N-[1-(2-chlorophenyl)ethyl]-1-(2,4,6-trimethylphenyl)methanimine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-1-(2,4,6-trimethylphenyl)methanimine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-1-(2,4,6-trimethylphenyl)methanimine is Cc1cc(C)c(/C=N/C(C)c2ccccc2Cl)c(C)c1.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-1-(2,4,6-trimethylphenyl)methanimine?
The InChIKey is AXRHNNWIUFRQGN-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H20ClN/c1-12-9-13(2)17(14(3)10-12)11-20-15(4)16-7-5-6-8-18(16)19/h5-11,15H,1-4H3/b20-11+.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-1-(2,4,6-trimethylphenyl)methanimine?
N-[1-(2-chlorophenyl)ethyl]-1-(2,4,6-trimethylphenyl)methanimine has a molecular weight of 285.82 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-1-(2,4,6-trimethylphenyl)methanimine is sourced from PubChem (CID 22483401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).