N,N-dimethyl-2-[(2,3,4,5-tetrachlorophenyl)methylideneamino]ethanamine

C11H12Cl4N2 — CID 12048915

IUPACN,N-dimethyl-2-[(2,3,4,5-tetrachlorophenyl)methylideneamino]ethanamine
SMILESCN(C)CC/N=C/c1cc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C11H12Cl4N2/c1-17(2)4-3-16-6-7-5-8(12)10(14)11(15)9(7)13/h5-6H,3-4H2,1-2H3/b16-6+
InChIKeyBYZCZDBQSMFUAV-OMCISZLKSA-N
MW314.04 g/mol
LogP4.28
Rot. Bonds4

About N,N-dimethyl-2-[(2,3,4,5-tetrachlorophenyl)methylideneamino]ethanamine

N,N-dimethyl-2-[(2,3,4,5-tetrachlorophenyl)methylideneamino]ethanamine (PubChem CID 12048915) has the molecular formula C11H12Cl4N2 and a molecular weight of 314.04 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2,3,4,5-tetrachlorophenyl)methylideneamino]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2,3,4,5-tetrachlorophenyl)methylideneamino]ethanamine
PubChem CID12048915
Molecular FormulaC11H12Cl4N2
Molecular Weight314.04 g/mol
Exact Mass311.98
IUPAC NameN,N-dimethyl-2-[(2,3,4,5-tetrachlorophenyl)methylideneamino]ethanamine
SMILESCN(C)CC/N=C/c1cc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C11H12Cl4N2/c1-17(2)4-3-16-6-7-5-8(12)10(14)11(15)9(7)13/h5-6H,3-4H2,1-2H3/b16-6+
InChIKeyBYZCZDBQSMFUAV-OMCISZLKSA-N
XLogP4.28
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.04
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-(dimethylamino)ethyliminomethyl]-3-hydroxy-5-(2,3,5-trichlorophenyl)cyclohex-2-en-1-one
CID 146459628
dicopper;bis(4-chloro-2-[2-(dimethylamino)ethyliminomethyl]phenolate);diacetate
CID 139174487
2-bromo-6-[2-(dimethylamino)ethyliminomethyl]phenol
CID 137090728
5-(diethylamino)-2-[2-(dimethylamino)ethyliminomethyl]phenol
CID 136879981
2-[(8-bromonaphthalen-1-yl)methylideneamino]-N,N-dimethylethanamine
CID 132933361
2-[(4-fluorophenyl)methylideneamino]-N,N-dimethylethanamine
CID 102365312
chloroplatinum(1+);N,N-dimethyl-2-[[2-(4-methylbenzene-6-id-1-yl)phenyl]methylideneamino]ethanamine
CID 66572690
5-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethyliminomethyl]-3-hydroxycyclohex-2-en-1-one
CID 146459550
6-chloro-3-[2-(dimethylamino)ethyliminomethyl]-1H-indol-2-ol
CID 137006375
2-[(4-tert-butylphenyl)methylideneamino]-N,N-dimethylethanamine;ethane
CID 143665839
2,6-bis[3-(dimethylamino)propyliminomethyl]phenol
CID 136704302
2-(1H-imidazol-5-ylmethylideneamino)-N,N-dimethylethanamine
CID 136726194

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2,3,4,5-tetrachlorophenyl)methylideneamino]ethanamine?
The IUPAC name of N,N-dimethyl-2-[(2,3,4,5-tetrachlorophenyl)methylideneamino]ethanamine (CID 12048915) is N,N-dimethyl-2-[(2,3,4,5-tetrachlorophenyl)methylideneamino]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[(2,3,4,5-tetrachlorophenyl)methylideneamino]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[(2,3,4,5-tetrachlorophenyl)methylideneamino]ethanamine is CN(C)CC/N=C/c1cc(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of N,N-dimethyl-2-[(2,3,4,5-tetrachlorophenyl)methylideneamino]ethanamine?
The InChIKey is BYZCZDBQSMFUAV-OMCISZLKSA-N. The full InChI is InChI=1S/C11H12Cl4N2/c1-17(2)4-3-16-6-7-5-8(12)10(14)11(15)9(7)13/h5-6H,3-4H2,1-2H3/b16-6+.
What are the key properties of N,N-dimethyl-2-[(2,3,4,5-tetrachlorophenyl)methylideneamino]ethanamine?
N,N-dimethyl-2-[(2,3,4,5-tetrachlorophenyl)methylideneamino]ethanamine has a molecular weight of 314.04 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(2,3,4,5-tetrachlorophenyl)methylideneamino]ethanamine is sourced from PubChem (CID 12048915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).