N'-[2,5-dichloro-4-(2,5-dimethylanilino)phenyl]-N-ethyl-N-methylmethanimidamide

C18H21Cl2N3 — CID 146197650

IUPACN'-[2,5-dichloro-4-(2,5-dimethylanilino)phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(Cl)c(Nc2cc(C)ccc2C)cc1Cl
InChIInChI=1S/C18H21Cl2N3/c1-5-23(4)11-21-17-9-15(20)18(10-14(17)19)22-16-8-12(2)6-7-13(16)3/h6-11,22H,5H2,1-4H3/b21-11+
InChIKeyBMURVWFYQQXLKS-SRZZPIQSSA-N
MW350.29 g/mol
LogP5.97
Rot. Bonds5

About N'-[2,5-dichloro-4-(2,5-dimethylanilino)phenyl]-N-ethyl-N-methylmethanimidamide

N'-[2,5-dichloro-4-(2,5-dimethylanilino)phenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 146197650) has the molecular formula C18H21Cl2N3 and a molecular weight of 350.29 g/mol. Its IUPAC name is N'-[2,5-dichloro-4-(2,5-dimethylanilino)phenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[2,5-dichloro-4-(2,5-dimethylanilino)phenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID146197650
Molecular FormulaC18H21Cl2N3
Molecular Weight350.29 g/mol
Exact Mass349.11
IUPAC NameN'-[2,5-dichloro-4-(2,5-dimethylanilino)phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(Cl)c(Nc2cc(C)ccc2C)cc1Cl
InChIInChI=1S/C18H21Cl2N3/c1-5-23(4)11-21-17-9-15(20)18(10-14(17)19)22-16-8-12(2)6-7-13(16)3/h6-11,22H,5H2,1-4H3/b21-11+
InChIKeyBMURVWFYQQXLKS-SRZZPIQSSA-N
XLogP5.97
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.29
LogP ≤ 55.97
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'-[2-chloro-4-(2-fluoro-5-methylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197712
4-[2,5-dichloro-4-[[ethyl(methyl)amino]methylideneamino]anilino]-3-methylbenzoic acid
CID 146197888
N'-[2,5-dichloro-4-(2,4-difluoroanilino)phenyl]-N-ethyl-N-methylmethanimidamide
CID 146197861
N'-[4-(2,5-dimethylanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197726
N'-(2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide
CID 66796149
N'-[5-chloro-4-(4-methoxyanilino)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197725
N'-[2-chloro-5-methyl-4-[2-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide
CID 146197912
N'-[2-chloro-4-(4-fluoro-3-methoxyanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 142322849
N'-[4-(2-chloroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 142322874
5-[2,5-dichloro-4-[[ethyl(methyl)amino]methylideneamino]anilino]-2-propan-2-ylsulfanylbenzoic acid
CID 146197939
N'-[2-chloro-5-methyl-4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]-N-ethyl-N-methylmethanimidamide
CID 154017909
N'-[4-(4-chloroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197850

Frequently Asked Questions

What is the IUPAC name of N'-[2,5-dichloro-4-(2,5-dimethylanilino)phenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[2,5-dichloro-4-(2,5-dimethylanilino)phenyl]-N-ethyl-N-methylmethanimidamide (CID 146197650) is N'-[2,5-dichloro-4-(2,5-dimethylanilino)phenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[2,5-dichloro-4-(2,5-dimethylanilino)phenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[2,5-dichloro-4-(2,5-dimethylanilino)phenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(Cl)c(Nc2cc(C)ccc2C)cc1Cl.
What is the InChIKey of N'-[2,5-dichloro-4-(2,5-dimethylanilino)phenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is BMURVWFYQQXLKS-SRZZPIQSSA-N. The full InChI is InChI=1S/C18H21Cl2N3/c1-5-23(4)11-21-17-9-15(20)18(10-14(17)19)22-16-8-12(2)6-7-13(16)3/h6-11,22H,5H2,1-4H3/b21-11+.
What are the key properties of N'-[2,5-dichloro-4-(2,5-dimethylanilino)phenyl]-N-ethyl-N-methylmethanimidamide?
N'-[2,5-dichloro-4-(2,5-dimethylanilino)phenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 350.29 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,5-dichloro-4-(2,5-dimethylanilino)phenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 146197650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).