1-(3,4-diethoxy-6-ethyl-2-fluorophenyl)ethanimine

C14H20FNO2 — CID 143227173

IUPAC1-(3,4-diethoxy-6-ethyl-2-fluorophenyl)ethanimine
SMILES[H]/N=C(\C)c1c(CC)cc(OCC)c(OCC)c1F
InChIInChI=1S/C14H20FNO2/c1-5-10-8-11(17-6-2)14(18-7-3)13(15)12(10)9(4)16/h8,16H,5-7H2,1-4H3/b16-9+
InChIKeyANROUMGTEBUQQK-CXUHLZMHSA-N
MW253.32 g/mol
LogP3.57
Rot. Bonds6

About 1-(3,4-diethoxy-6-ethyl-2-fluorophenyl)ethanimine

1-(3,4-diethoxy-6-ethyl-2-fluorophenyl)ethanimine (PubChem CID 143227173) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-(3,4-diethoxy-6-ethyl-2-fluorophenyl)ethanimine.

Molecular Properties

Compound Name1-(3,4-diethoxy-6-ethyl-2-fluorophenyl)ethanimine
PubChem CID143227173
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-(3,4-diethoxy-6-ethyl-2-fluorophenyl)ethanimine
SMILES[H]/N=C(\C)c1c(CC)cc(OCC)c(OCC)c1F
InChIInChI=1S/C14H20FNO2/c1-5-10-8-11(17-6-2)14(18-7-3)13(15)12(10)9(4)16/h8,16H,5-7H2,1-4H3/b16-9+
InChIKeyANROUMGTEBUQQK-CXUHLZMHSA-N
XLogP3.57
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[3-tert-butyl-5-[4-(2-ethanimidoyl-4,5-diethoxy-3-fluorophenyl)butanoyl]-2-methoxyphenyl]piperazin-1-yl]acetonitrile
CID 89023324
methyl 6-bromo-3,4-diethoxy-2-fluorobenzoate
CID 88891029
3,4-diethoxy-2-fluoro-6-formylbenzonitrile
CID 23093710
(3,4-diethoxy-5-fluorophenyl)boronic acid
CID 164894924
1,2,3-triethoxy-5-ethylbenzene
CID 91457664
3,4,5-triethoxyphenol
CID 19754898
ethane;1-(2-ethoxy-4-methylphenyl)ethanimine;methanamine
CID 176566491
(2,3,4,5-tetraethoxyphenyl) dihydrogen phosphate
CID 122506436
3,4-diethoxy-2-fluoroaniline
CID 13454492
1,2-diethoxy-5-fluoro-3-iodobenzene
CID 164896082
1,4-diethoxy-2,5-difluorobenzene
CID 58718970
N-[(2-cyano-4,5-diethoxy-3-fluorophenyl)methyl]-2-formylbenzamide
CID 87415211

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxy-6-ethyl-2-fluorophenyl)ethanimine?
The IUPAC name of 1-(3,4-diethoxy-6-ethyl-2-fluorophenyl)ethanimine (CID 143227173) is 1-(3,4-diethoxy-6-ethyl-2-fluorophenyl)ethanimine.
What is the SMILES notation for 1-(3,4-diethoxy-6-ethyl-2-fluorophenyl)ethanimine?
The canonical SMILES for 1-(3,4-diethoxy-6-ethyl-2-fluorophenyl)ethanimine is [H]/N=C(\C)c1c(CC)cc(OCC)c(OCC)c1F.
What is the InChIKey of 1-(3,4-diethoxy-6-ethyl-2-fluorophenyl)ethanimine?
The InChIKey is ANROUMGTEBUQQK-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-5-10-8-11(17-6-2)14(18-7-3)13(15)12(10)9(4)16/h8,16H,5-7H2,1-4H3/b16-9+.
What are the key properties of 1-(3,4-diethoxy-6-ethyl-2-fluorophenyl)ethanimine?
1-(3,4-diethoxy-6-ethyl-2-fluorophenyl)ethanimine has a molecular weight of 253.32 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxy-6-ethyl-2-fluorophenyl)ethanimine is sourced from PubChem (CID 143227173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).