ethane;2-ethanimidoyl-3-fluoro-4,5-dimethylaniline

C14H25FN2 — CID 176566300

IUPACethane;2-ethanimidoyl-3-fluoro-4,5-dimethylaniline
SMILESCC.CC.[H]/N=C(\C)c1c(N)cc(C)c(C)c1F
InChIInChI=1S/C10H13FN2.2C2H6/c1-5-4-8(13)9(7(3)12)10(11)6(5)2;2*1-2/h4,12H,13H2,1-3H3;2*1-2H3/b12-7+;;
InChIKeyZNVBCCATEIGJHM-CURPJKDSSA-N
MW240.37 g/mol
LogP4.46
Rot. Bonds1

About ethane;2-ethanimidoyl-3-fluoro-4,5-dimethylaniline

ethane;2-ethanimidoyl-3-fluoro-4,5-dimethylaniline (PubChem CID 176566300) has the molecular formula C14H25FN2 and a molecular weight of 240.37 g/mol. Its IUPAC name is ethane;2-ethanimidoyl-3-fluoro-4,5-dimethylaniline.

Molecular Properties

Compound Nameethane;2-ethanimidoyl-3-fluoro-4,5-dimethylaniline
PubChem CID176566300
Molecular FormulaC14H25FN2
Molecular Weight240.37 g/mol
Exact Mass240.20
IUPAC Nameethane;2-ethanimidoyl-3-fluoro-4,5-dimethylaniline
SMILESCC.CC.[H]/N=C(\C)c1c(N)cc(C)c(C)c1F
InChIInChI=1S/C10H13FN2.2C2H6/c1-5-4-8(13)9(7(3)12)10(11)6(5)2;2*1-2/h4,12H,13H2,1-3H3;2*1-2H3/b12-7+;;
InChIKeyZNVBCCATEIGJHM-CURPJKDSSA-N
XLogP4.46
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-ethanimidoyl-6-methyl-1H-pyridin-2-one
CID 176566776
N-(3-amino-2-ethanimidoyl-5-methylphenyl)acetamide
CID 176566184
ethane;2-methanimidoyl-3,4,5-trimethylaniline
CID 169182413
6-bromo-2-ethanimidoyl-3-methylaniline
CID 177029441
1-(4-fluoro-2-methylphenyl)ethanimine
CID 118373171
ethane;2-ethanimidoyl-N-ethyl-3-fluoro-5-methylaniline
CID 176566452
1-(4,5-dimethyl-2-pyridinyl)ethanimine
CID 144541675
6-amino-2,3-difluoro-4-methylphenol
CID 59444170
3-chloro-2-ethanimidoyl-5-methylbenzenethiol;ethane
CID 176565893
6-bromo-4-ethanimidoylpyridin-3-amine
CID 143774873
2-chloro-5-ethanimidoylpyridin-4-amine
CID 144767803
5-[[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]methoxy]-2-ethanimidoyl-3-methylaniline
CID 149388517

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethanimidoyl-3-fluoro-4,5-dimethylaniline?
The IUPAC name of ethane;2-ethanimidoyl-3-fluoro-4,5-dimethylaniline (CID 176566300) is ethane;2-ethanimidoyl-3-fluoro-4,5-dimethylaniline.
What is the SMILES notation for ethane;2-ethanimidoyl-3-fluoro-4,5-dimethylaniline?
The canonical SMILES for ethane;2-ethanimidoyl-3-fluoro-4,5-dimethylaniline is CC.CC.[H]/N=C(\C)c1c(N)cc(C)c(C)c1F.
What is the InChIKey of ethane;2-ethanimidoyl-3-fluoro-4,5-dimethylaniline?
The InChIKey is ZNVBCCATEIGJHM-CURPJKDSSA-N. The full InChI is InChI=1S/C10H13FN2.2C2H6/c1-5-4-8(13)9(7(3)12)10(11)6(5)2;2*1-2/h4,12H,13H2,1-3H3;2*1-2H3/b12-7+;;.
What are the key properties of ethane;2-ethanimidoyl-3-fluoro-4,5-dimethylaniline?
ethane;2-ethanimidoyl-3-fluoro-4,5-dimethylaniline has a molecular weight of 240.37 g/mol, XLogP of 4.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethanimidoyl-3-fluoro-4,5-dimethylaniline is sourced from PubChem (CID 176566300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).