3-ethyl-2-(3-fluoro-5-methylanilino)pentan-1-ol

C14H22FNO — CID 79048010

IUPAC3-ethyl-2-(3-fluoro-5-methylanilino)pentan-1-ol
SMILESCCC(CC)C(CO)Nc1cc(C)cc(F)c1
InChIInChI=1S/C14H22FNO/c1-4-11(5-2)14(9-17)16-13-7-10(3)6-12(15)8-13/h6-8,11,14,16-17H,4-5,9H2,1-3H3
InChIKeyNQMLITZWBFGARX-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.34
Rot. Bonds6

About 3-ethyl-2-(3-fluoro-5-methylanilino)pentan-1-ol

3-ethyl-2-(3-fluoro-5-methylanilino)pentan-1-ol (PubChem CID 79048010) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 3-ethyl-2-(3-fluoro-5-methylanilino)pentan-1-ol.

Molecular Properties

Compound Name3-ethyl-2-(3-fluoro-5-methylanilino)pentan-1-ol
PubChem CID79048010
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name3-ethyl-2-(3-fluoro-5-methylanilino)pentan-1-ol
SMILESCCC(CC)C(CO)Nc1cc(C)cc(F)c1
InChIInChI=1S/C14H22FNO/c1-4-11(5-2)14(9-17)16-13-7-10(3)6-12(15)8-13/h6-8,11,14,16-17H,4-5,9H2,1-3H3
InChIKeyNQMLITZWBFGARX-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-ethyl-2-(3-fluoro-5-methylanilino)pentanoate
CID 79050437
2-anilino-3-ethylpentan-1-ol
CID 61317721
2-(2,6-dichlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79049935
2-(3-fluoro-5-methylanilino)-2-(4-fluoro-2-methylphenyl)ethanol
CID 79049542
2-(2-bromophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79050493
2-(3-fluoro-5-methylanilino)-2-(4-fluoro-3-methylphenyl)ethanol
CID 79050588
2-(3-fluoro-5-methylanilino)-2-(4-methylcyclohexyl)ethanol
CID 79047274
2-(3-chlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79050495
2-(2-chlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79049315
2-(2,3-difluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79049466
2-(5-bromo-2-fluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79050260
2-(3-fluoro-5-methylanilino)-N-propylpropanamide
CID 79055254

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(3-fluoro-5-methylanilino)pentan-1-ol?
The IUPAC name of 3-ethyl-2-(3-fluoro-5-methylanilino)pentan-1-ol (CID 79048010) is 3-ethyl-2-(3-fluoro-5-methylanilino)pentan-1-ol.
What is the SMILES notation for 3-ethyl-2-(3-fluoro-5-methylanilino)pentan-1-ol?
The canonical SMILES for 3-ethyl-2-(3-fluoro-5-methylanilino)pentan-1-ol is CCC(CC)C(CO)Nc1cc(C)cc(F)c1.
What is the InChIKey of 3-ethyl-2-(3-fluoro-5-methylanilino)pentan-1-ol?
The InChIKey is NQMLITZWBFGARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-4-11(5-2)14(9-17)16-13-7-10(3)6-12(15)8-13/h6-8,11,14,16-17H,4-5,9H2,1-3H3.
What are the key properties of 3-ethyl-2-(3-fluoro-5-methylanilino)pentan-1-ol?
3-ethyl-2-(3-fluoro-5-methylanilino)pentan-1-ol has a molecular weight of 239.33 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(3-fluoro-5-methylanilino)pentan-1-ol is sourced from PubChem (CID 79048010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).