N'-[4-[(2,4-dichlorophenyl)methylamino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide

C19H23Cl2N3 — CID 146380949

IUPACN'-[4-[(2,4-dichlorophenyl)methylamino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(NCc2ccc(Cl)cc2Cl)cc1C
InChIInChI=1S/C19H23Cl2N3/c1-5-24(4)12-23-19-9-13(2)18(8-14(19)3)22-11-15-6-7-16(20)10-17(15)21/h6-10,12,22H,5,11H2,1-4H3/b23-12+
InChIKeyFMSZHIRRLNWCFI-FSJBWODESA-N
MW364.32 g/mol
LogP5.83
Rot. Bonds6

About N'-[4-[(2,4-dichlorophenyl)methylamino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide

N'-[4-[(2,4-dichlorophenyl)methylamino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 146380949) has the molecular formula C19H23Cl2N3 and a molecular weight of 364.32 g/mol. Its IUPAC name is N'-[4-[(2,4-dichlorophenyl)methylamino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[(2,4-dichlorophenyl)methylamino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID146380949
Molecular FormulaC19H23Cl2N3
Molecular Weight364.32 g/mol
Exact Mass363.13
IUPAC NameN'-[4-[(2,4-dichlorophenyl)methylamino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(NCc2ccc(Cl)cc2Cl)cc1C
InChIInChI=1S/C19H23Cl2N3/c1-5-24(4)12-23-19-9-13(2)18(8-14(19)3)22-11-15-6-7-16(20)10-17(15)21/h6-10,12,22H,5,11H2,1-4H3/b23-12+
InChIKeyFMSZHIRRLNWCFI-FSJBWODESA-N
XLogP5.83
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.32
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[4-[(4-chlorophenyl)methylamino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146381292
N'-[4-[(3-chlorophenyl)methylamino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 151932183
N'-[4-(4-chloroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197850
N'-[2-chloro-4-(2-fluoro-5-methylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197712
N-ethyl-N'-[4-(3-fluoro-4-methylanilino)-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 146197724
N'-[4-(2-chloroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 142322874
N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylaniline
CID 13339997
N'-[4-(2-bromoanilino)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197869
(4-chloro-2-methylphenyl)methyl 4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylbenzoate
CID 155325371
N-[(2,4-dichlorophenyl)methyl]-2-methylaniline
CID 28557135
N'-[5-chloro-4-(4-methoxyanilino)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197725
N'-[2-chloro-4-(4-fluoro-3-methoxyanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 142322849

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(2,4-dichlorophenyl)methylamino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[4-[(2,4-dichlorophenyl)methylamino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (CID 146380949) is N'-[4-[(2,4-dichlorophenyl)methylamino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[4-[(2,4-dichlorophenyl)methylamino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[4-[(2,4-dichlorophenyl)methylamino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(NCc2ccc(Cl)cc2Cl)cc1C.
What is the InChIKey of N'-[4-[(2,4-dichlorophenyl)methylamino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is FMSZHIRRLNWCFI-FSJBWODESA-N. The full InChI is InChI=1S/C19H23Cl2N3/c1-5-24(4)12-23-19-9-13(2)18(8-14(19)3)22-11-15-6-7-16(20)10-17(15)21/h6-10,12,22H,5,11H2,1-4H3/b23-12+.
What are the key properties of N'-[4-[(2,4-dichlorophenyl)methylamino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[4-[(2,4-dichlorophenyl)methylamino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 364.32 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(2,4-dichlorophenyl)methylamino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 146380949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).