ethane;2-ethanimidoyl-N-ethyl-3-fluoro-5-methylaniline

C15H27FN2 — CID 176566452

IUPACethane;2-ethanimidoyl-N-ethyl-3-fluoro-5-methylaniline
SMILESCC.CC.[H]/N=C(\C)c1c(F)cc(C)cc1NCC
InChIInChI=1S/C11H15FN2.2C2H6/c1-4-14-10-6-7(2)5-9(12)11(10)8(3)13;2*1-2/h5-6,13-14H,4H2,1-3H3;2*1-2H3/b13-8+;;
InChIKeyYQCGNYUFNDUCHX-LIYVDSPJSA-N
MW254.39 g/mol
LogP5.01
Rot. Bonds3

About ethane;2-ethanimidoyl-N-ethyl-3-fluoro-5-methylaniline

ethane;2-ethanimidoyl-N-ethyl-3-fluoro-5-methylaniline (PubChem CID 176566452) has the molecular formula C15H27FN2 and a molecular weight of 254.39 g/mol. Its IUPAC name is ethane;2-ethanimidoyl-N-ethyl-3-fluoro-5-methylaniline.

Molecular Properties

Compound Nameethane;2-ethanimidoyl-N-ethyl-3-fluoro-5-methylaniline
PubChem CID176566452
Molecular FormulaC15H27FN2
Molecular Weight254.39 g/mol
Exact Mass254.22
IUPAC Nameethane;2-ethanimidoyl-N-ethyl-3-fluoro-5-methylaniline
SMILESCC.CC.[H]/N=C(\C)c1c(F)cc(C)cc1NCC
InChIInChI=1S/C11H15FN2.2C2H6/c1-4-14-10-6-7(2)5-9(12)11(10)8(3)13;2*1-2/h5-6,13-14H,4H2,1-3H3;2*1-2H3/b13-8+;;
InChIKeyYQCGNYUFNDUCHX-LIYVDSPJSA-N
XLogP5.01
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.39
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-ethanimidoyl-3-fluoro-5-methylaniline;ethane
CID 176566073
ethane;methyl N-(2-ethanimidoyl-3-fluoro-5-methylphenyl)carbamate
CID 176566890
ethane;N-(2-ethanimidoyl-3-fluoro-5-methylphenyl)oxetan-3-amine
CID 176566077
N-(3-chloro-2-ethanimidoyl-5-methylphenyl)propanamide
CID 176566314
2-bromo-1-N,3-N-diethyl-5-methylbenzene-1,3-diamine
CID 174639511
N,4-diethyl-5-fluoro-2-methylaniline
CID 144881437
ethane;2-ethanimidoyl-3-fluoro-4,5-dimethylaniline
CID 176566300
2,6-difluoro-4-methylbenzoate
CID 86307703
3-chloro-2-ethanimidoyl-5-methylbenzenethiol
CID 176565894
4-(ethylamino)-N-(2-fluoro-4-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81238867
ethane;3-ethanimidoyl-2-methoxy-N,6-dimethylpyridin-4-amine
CID 176566621
N,2-diethyl-5-methylaniline;ethane
CID 143835073

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethanimidoyl-N-ethyl-3-fluoro-5-methylaniline?
The IUPAC name of ethane;2-ethanimidoyl-N-ethyl-3-fluoro-5-methylaniline (CID 176566452) is ethane;2-ethanimidoyl-N-ethyl-3-fluoro-5-methylaniline.
What is the SMILES notation for ethane;2-ethanimidoyl-N-ethyl-3-fluoro-5-methylaniline?
The canonical SMILES for ethane;2-ethanimidoyl-N-ethyl-3-fluoro-5-methylaniline is CC.CC.[H]/N=C(\C)c1c(F)cc(C)cc1NCC.
What is the InChIKey of ethane;2-ethanimidoyl-N-ethyl-3-fluoro-5-methylaniline?
The InChIKey is YQCGNYUFNDUCHX-LIYVDSPJSA-N. The full InChI is InChI=1S/C11H15FN2.2C2H6/c1-4-14-10-6-7(2)5-9(12)11(10)8(3)13;2*1-2/h5-6,13-14H,4H2,1-3H3;2*1-2H3/b13-8+;;.
What are the key properties of ethane;2-ethanimidoyl-N-ethyl-3-fluoro-5-methylaniline?
ethane;2-ethanimidoyl-N-ethyl-3-fluoro-5-methylaniline has a molecular weight of 254.39 g/mol, XLogP of 5.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethanimidoyl-N-ethyl-3-fluoro-5-methylaniline is sourced from PubChem (CID 176566452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).