4-ethoxy-N,N,2,6-tetramethylaniline;zinc;dihydrochloride

C12H21Cl2NOZn — CID 70476800

IUPAC4-ethoxy-N,N,2,6-tetramethylaniline;zinc;dihydrochloride
SMILESCCOc1cc(C)c(N(C)C)c(C)c1.Cl.Cl.[Zn]
InChIInChI=1S/C12H19NO.2ClH.Zn/c1-6-14-11-7-9(2)12(13(4)5)10(3)8-11;;;/h7-8H,6H2,1-5H3;2*1H;
InChIKeyRWHXANOKRFBJQK-UHFFFAOYSA-N
MW331.60 g/mol
LogP3.61
Rot. Bonds3

About 4-ethoxy-N,N,2,6-tetramethylaniline;zinc;dihydrochloride

4-ethoxy-N,N,2,6-tetramethylaniline;zinc;dihydrochloride (PubChem CID 70476800) has the molecular formula C12H21Cl2NOZn and a molecular weight of 331.60 g/mol. Its IUPAC name is 4-ethoxy-N,N,2,6-tetramethylaniline;zinc;dihydrochloride.

Molecular Properties

Compound Name4-ethoxy-N,N,2,6-tetramethylaniline;zinc;dihydrochloride
PubChem CID70476800
Molecular FormulaC12H21Cl2NOZn
Molecular Weight331.60 g/mol
Exact Mass329.03
IUPAC Name4-ethoxy-N,N,2,6-tetramethylaniline;zinc;dihydrochloride
SMILESCCOc1cc(C)c(N(C)C)c(C)c1.Cl.Cl.[Zn]
InChIInChI=1S/C12H19NO.2ClH.Zn/c1-6-14-11-7-9(2)12(13(4)5)10(3)8-11;;;/h7-8H,6H2,1-5H3;2*1H;
InChIKeyRWHXANOKRFBJQK-UHFFFAOYSA-N
XLogP3.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.60
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

5-ethoxy-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine
CID 167873976
1-chloro-5-ethoxy-2-iodo-3-methylbenzene
CID 164892578
5-ethoxy-N,N,2-trimethylaniline
CID 54263665
1-[6-[(dimethylamino)methyl]-4-ethoxy-2-pyridinyl]-N,N-dimethylmethanamine
CID 102470295
2-ethoxy-5-methoxy-1,3-dimethylbenzene
CID 130882299
3-(dimethylamino)-3-(4-ethoxy-2,6-dimethylphenyl)propan-1-ol
CID 83940208
1-bromo-5-ethoxy-2-fluoro-3-methylbenzene
CID 164891518
5-ethoxy-2-fluoro-3-methylphenol
CID 164891522
CID 90242969
CID 90242969
5-ethoxy-2-fluoro-1-iodo-3-methylbenzene
CID 131287027
methyl 4-ethoxy-2,6-dimethylbenzoate
CID 82552476
2-but-3-enyl-5-ethoxy-1,3-dimethylbenzene
CID 83940244

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N,N,2,6-tetramethylaniline;zinc;dihydrochloride?
The IUPAC name of 4-ethoxy-N,N,2,6-tetramethylaniline;zinc;dihydrochloride (CID 70476800) is 4-ethoxy-N,N,2,6-tetramethylaniline;zinc;dihydrochloride.
What is the SMILES notation for 4-ethoxy-N,N,2,6-tetramethylaniline;zinc;dihydrochloride?
The canonical SMILES for 4-ethoxy-N,N,2,6-tetramethylaniline;zinc;dihydrochloride is CCOc1cc(C)c(N(C)C)c(C)c1.Cl.Cl.[Zn].
What is the InChIKey of 4-ethoxy-N,N,2,6-tetramethylaniline;zinc;dihydrochloride?
The InChIKey is RWHXANOKRFBJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.2ClH.Zn/c1-6-14-11-7-9(2)12(13(4)5)10(3)8-11;;;/h7-8H,6H2,1-5H3;2*1H;.
What are the key properties of 4-ethoxy-N,N,2,6-tetramethylaniline;zinc;dihydrochloride?
4-ethoxy-N,N,2,6-tetramethylaniline;zinc;dihydrochloride has a molecular weight of 331.60 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N,N,2,6-tetramethylaniline;zinc;dihydrochloride is sourced from PubChem (CID 70476800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).