methyl 2-ethyl-2-(4-fluoroanilino)hexanoate

C15H22FNO2 — CID 63953657

IUPACmethyl 2-ethyl-2-(4-fluoroanilino)hexanoate
SMILESCCCCC(CC)(Nc1ccc(F)cc1)C(=O)OC
InChIInChI=1S/C15H22FNO2/c1-4-6-11-15(5-2,14(18)19-3)17-13-9-7-12(16)8-10-13/h7-10,17H,4-6,11H2,1-3H3
InChIKeyHDLYBERUMMSMQY-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.75
Rot. Bonds7

About methyl 2-ethyl-2-(4-fluoroanilino)hexanoate

methyl 2-ethyl-2-(4-fluoroanilino)hexanoate (PubChem CID 63953657) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is methyl 2-ethyl-2-(4-fluoroanilino)hexanoate.

Molecular Properties

Compound Namemethyl 2-ethyl-2-(4-fluoroanilino)hexanoate
PubChem CID63953657
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Namemethyl 2-ethyl-2-(4-fluoroanilino)hexanoate
SMILESCCCCC(CC)(Nc1ccc(F)cc1)C(=O)OC
InChIInChI=1S/C15H22FNO2/c1-4-6-11-15(5-2,14(18)19-3)17-13-9-7-12(16)8-10-13/h7-10,17H,4-6,11H2,1-3H3
InChIKeyHDLYBERUMMSMQY-UHFFFAOYSA-N
XLogP3.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-ethyl-2-(4-fluoroanilino)hexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-ethyl-2-(4-methoxyanilino)hexanoate
CID 63952851
methyl 2-(4-chloroanilino)-2-ethylpentanoate
CID 114079648
methyl 2-ethyl-2-(4-methylanilino)butanoate
CID 54889628
2-ethyl-2-(3-fluoro-5-methylanilino)hexanoic acid
CID 79050285
methyl 2-anilino-2-(4-fluorophenyl)butanoate
CID 60992178
methyl 2-(3-fluoro-5-methylanilino)-2-propylpentanoate
CID 79049647
2-ethyl-2-(3-methoxyanilino)hexanamide
CID 63953655
methyl 2-(butan-2-ylamino)-2-ethylhexanoate
CID 63953250
methyl 2-(aminomethyl)-2-(4-fluorophenyl)nonanoate
CID 106490831
ethyl 2-ethyl-2-(2-methylanilino)hexanoate
CID 63953248
methyl 2-ethyl-2-(2-fluoroanilino)butanoate
CID 54890887
λ2-stannane;methyl 2,2-dibutylhexanoate
CID 174859558

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-2-(4-fluoroanilino)hexanoate?
The IUPAC name of methyl 2-ethyl-2-(4-fluoroanilino)hexanoate (CID 63953657) is methyl 2-ethyl-2-(4-fluoroanilino)hexanoate.
What is the SMILES notation for methyl 2-ethyl-2-(4-fluoroanilino)hexanoate?
The canonical SMILES for methyl 2-ethyl-2-(4-fluoroanilino)hexanoate is CCCCC(CC)(Nc1ccc(F)cc1)C(=O)OC.
What is the InChIKey of methyl 2-ethyl-2-(4-fluoroanilino)hexanoate?
The InChIKey is HDLYBERUMMSMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-4-6-11-15(5-2,14(18)19-3)17-13-9-7-12(16)8-10-13/h7-10,17H,4-6,11H2,1-3H3.
What are the key properties of methyl 2-ethyl-2-(4-fluoroanilino)hexanoate?
methyl 2-ethyl-2-(4-fluoroanilino)hexanoate has a molecular weight of 267.34 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-2-(4-fluoroanilino)hexanoate is sourced from PubChem (CID 63953657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).