4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-fluoro-N-methylaniline

C12H14Cl2FNO — CID 18725509

IUPAC4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-fluoro-N-methylaniline
SMILESCCc1cc(OCC=C(Cl)Cl)cc(F)c1NC
InChIInChI=1S/C12H14Cl2FNO/c1-3-8-6-9(17-5-4-11(13)14)7-10(15)12(8)16-2/h4,6-7,16H,3,5H2,1-2H3
InChIKeyKEVSGOMQMYKOCV-UHFFFAOYSA-N
MW278.15 g/mol
LogP4.13
Rot. Bonds5

About 4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-fluoro-N-methylaniline

4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-fluoro-N-methylaniline (PubChem CID 18725509) has the molecular formula C12H14Cl2FNO and a molecular weight of 278.15 g/mol. Its IUPAC name is 4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-fluoro-N-methylaniline.

Molecular Properties

Compound Name4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-fluoro-N-methylaniline
PubChem CID18725509
Molecular FormulaC12H14Cl2FNO
Molecular Weight278.15 g/mol
Exact Mass277.04
IUPAC Name4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-fluoro-N-methylaniline
SMILESCCc1cc(OCC=C(Cl)Cl)cc(F)c1NC
InChIInChI=1S/C12H14Cl2FNO/c1-3-8-6-9(17-5-4-11(13)14)7-10(15)12(8)16-2/h4,6-7,16H,3,5H2,1-2H3
InChIKeyKEVSGOMQMYKOCV-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-(3,3-dibromoprop-2-enoxy)-6-ethyl-N-methylaniline;2-bromo-4-(3,3-dibromoprop-2-enoxy)-N-methyl-6-propylaniline;2-bromo-4-(3,3-dibromoprop-2-enoxy)-N-methyl-6-(trifluoromethyl)aniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-6-ethyl-N-methylaniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-N-methyl-6-propylaniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-N-methyl-6-(trifluoromethyl)aniline
CID 54246999
4-(3,3-dibromoprop-2-enoxy)-2-ethyl-N-methyl-6-(trifluoromethyl)aniline
CID 18725504
2-(3-bromopropoxy)-5-(3,3-dichloroprop-2-enoxy)-1,3-diethylbenzene
CID 54380239
2-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-methylphenoxy]acetaldehyde
CID 54272416
1-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]-N-[(2-methylpropan-2-yl)oxy]prop-1-en-2-amine
CID 57217153
N-(3,3-dichloroprop-2-enoxy)-1-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]prop-1-en-2-amine
CID 57012692
4-chloro-N-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]propyl]-2-fluorobenzamide
CID 19356505
N-(3,3-dichloroprop-2-enoxy)-5-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]pent-1-en-1-amine
CID 57132606
N-[2-[4-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]butoxy]ethylidene]hydroxylamine
CID 86584396
2-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]ethyl N-hydroxyethanimidate
CID 173216470
1-[4-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]butoxy]-N-[(2-methylpropan-2-yl)oxy]prop-1-en-2-amine
CID 57280385
N-[4-[4-(3,3-dichloroprop-2-enoxy)-2-fluoro-6-propylphenoxy]butoxy]propan-2-imine
CID 22963707

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-fluoro-N-methylaniline?
The IUPAC name of 4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-fluoro-N-methylaniline (CID 18725509) is 4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-fluoro-N-methylaniline.
What is the SMILES notation for 4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-fluoro-N-methylaniline?
The canonical SMILES for 4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-fluoro-N-methylaniline is CCc1cc(OCC=C(Cl)Cl)cc(F)c1NC.
What is the InChIKey of 4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-fluoro-N-methylaniline?
The InChIKey is KEVSGOMQMYKOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2FNO/c1-3-8-6-9(17-5-4-11(13)14)7-10(15)12(8)16-2/h4,6-7,16H,3,5H2,1-2H3.
What are the key properties of 4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-fluoro-N-methylaniline?
4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-fluoro-N-methylaniline has a molecular weight of 278.15 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-fluoro-N-methylaniline is sourced from PubChem (CID 18725509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).