2-ethyl-2-(3-fluoro-5-methylanilino)hexanoic acid

C15H22FNO2 — CID 79050285

IUPAC2-ethyl-2-(3-fluoro-5-methylanilino)hexanoic acid
SMILESCCCCC(CC)(Nc1cc(C)cc(F)c1)C(=O)O
InChIInChI=1S/C15H22FNO2/c1-4-6-7-15(5-2,14(18)19)17-13-9-11(3)8-12(16)10-13/h8-10,17H,4-7H2,1-3H3,(H,18,19)
InChIKeyFYRYBNYDBSFDNM-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.97
Rot. Bonds7

About 2-ethyl-2-(3-fluoro-5-methylanilino)hexanoic acid

2-ethyl-2-(3-fluoro-5-methylanilino)hexanoic acid (PubChem CID 79050285) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-ethyl-2-(3-fluoro-5-methylanilino)hexanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(3-fluoro-5-methylanilino)hexanoic acid
PubChem CID79050285
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name2-ethyl-2-(3-fluoro-5-methylanilino)hexanoic acid
SMILESCCCCC(CC)(Nc1cc(C)cc(F)c1)C(=O)O
InChIInChI=1S/C15H22FNO2/c1-4-6-7-15(5-2,14(18)19)17-13-9-11(3)8-12(16)10-13/h8-10,17H,4-7H2,1-3H3,(H,18,19)
InChIKeyFYRYBNYDBSFDNM-UHFFFAOYSA-N
XLogP3.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(3-fluoro-5-methylanilino)-2-propylpentanoate
CID 79049647
methyl 2-ethyl-2-(4-fluoroanilino)hexanoate
CID 63953657
2-(3-fluoro-5-methylanilino)-2-methylnonanamide
CID 79044705
2-ethyl-2-(3-fluoroanilino)butanoic acid
CID 60993028
2-ethyl-2-(3-fluoro-5-methylanilino)-3-methylbutanamide
CID 79055465
2-(3,5-dimethylanilino)-2-methylbutanoic acid
CID 71564852
2-anilino-2-decyltridecanoic acid
CID 139977207
2-(3-fluoro-5-methylanilino)-2-methyl-3-phenylpropanoic acid
CID 79044451
6,6,6-trifluoro-2-(3-fluoro-5-methylanilino)-2-methylhexanamide
CID 116535507
N-(3-fluoro-5-methylphenyl)propanamide
CID 79047082
methyl 2-ethyl-2-(4-methoxyanilino)hexanoate
CID 63952851
(2S)-2-amino-N-(3-fluoro-5-methylphenyl)hexanamide
CID 103950769

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(3-fluoro-5-methylanilino)hexanoic acid?
The IUPAC name of 2-ethyl-2-(3-fluoro-5-methylanilino)hexanoic acid (CID 79050285) is 2-ethyl-2-(3-fluoro-5-methylanilino)hexanoic acid.
What is the SMILES notation for 2-ethyl-2-(3-fluoro-5-methylanilino)hexanoic acid?
The canonical SMILES for 2-ethyl-2-(3-fluoro-5-methylanilino)hexanoic acid is CCCCC(CC)(Nc1cc(C)cc(F)c1)C(=O)O.
What is the InChIKey of 2-ethyl-2-(3-fluoro-5-methylanilino)hexanoic acid?
The InChIKey is FYRYBNYDBSFDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-4-6-7-15(5-2,14(18)19)17-13-9-11(3)8-12(16)10-13/h8-10,17H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 2-ethyl-2-(3-fluoro-5-methylanilino)hexanoic acid?
2-ethyl-2-(3-fluoro-5-methylanilino)hexanoic acid has a molecular weight of 267.34 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(3-fluoro-5-methylanilino)hexanoic acid is sourced from PubChem (CID 79050285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).