1-(2-amino-5-fluoroanilino)-3-ethylpentan-2-ol

C13H21FN2O — CID 106284328

IUPAC1-(2-amino-5-fluoroanilino)-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNc1cc(F)ccc1N
InChIInChI=1S/C13H21FN2O/c1-3-9(4-2)13(17)8-16-12-7-10(14)5-6-11(12)15/h5-7,9,13,16-17H,3-4,8,15H2,1-2H3
InChIKeyNFFCPKKGWZXBKI-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.62
Rot. Bonds6

About 1-(2-amino-5-fluoroanilino)-3-ethylpentan-2-ol

1-(2-amino-5-fluoroanilino)-3-ethylpentan-2-ol (PubChem CID 106284328) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 1-(2-amino-5-fluoroanilino)-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-(2-amino-5-fluoroanilino)-3-ethylpentan-2-ol
PubChem CID106284328
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name1-(2-amino-5-fluoroanilino)-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNc1cc(F)ccc1N
InChIInChI=1S/C13H21FN2O/c1-3-9(4-2)13(17)8-16-12-7-10(14)5-6-11(12)15/h5-7,9,13,16-17H,3-4,8,15H2,1-2H3
InChIKeyNFFCPKKGWZXBKI-UHFFFAOYSA-N
XLogP2.62
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide
CID 106284247
3-ethyl-1-(5-fluoro-2-nitroanilino)pentan-2-ol
CID 107302325
1-(2-amino-5-fluoroanilino)-4,4-dimethylpentan-2-ol
CID 107150865
2-[(3-ethyl-2-hydroxypentyl)amino]-5-fluorobenzonitrile
CID 113243820
1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]-3-ethylpentan-2-ol
CID 106284308
4-(2-amino-5-fluoroanilino)butan-2-ol
CID 64927265
1-(2-amino-4-methoxyanilino)-3-ethylpentan-2-ol
CID 106284251
1-[4-amino-2-(trifluoromethyl)anilino]-3-ethylpentan-2-ol
CID 106284327
1-(2-amino-4-nitroanilino)-3-ethylpentan-2-ol
CID 106284232
1-(2-amino-5-fluoroanilino)-2-methylpropan-2-ol
CID 65103407
4-[(3-ethyl-2-hydroxypentyl)amino]-3-fluorobenzenesulfonamide
CID 106287531
2-(2-amino-5-fluoroanilino)-N-ethylacetamide
CID 62377991

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluoroanilino)-3-ethylpentan-2-ol?
The IUPAC name of 1-(2-amino-5-fluoroanilino)-3-ethylpentan-2-ol (CID 106284328) is 1-(2-amino-5-fluoroanilino)-3-ethylpentan-2-ol.
What is the SMILES notation for 1-(2-amino-5-fluoroanilino)-3-ethylpentan-2-ol?
The canonical SMILES for 1-(2-amino-5-fluoroanilino)-3-ethylpentan-2-ol is CCC(CC)C(O)CNc1cc(F)ccc1N.
What is the InChIKey of 1-(2-amino-5-fluoroanilino)-3-ethylpentan-2-ol?
The InChIKey is NFFCPKKGWZXBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-3-9(4-2)13(17)8-16-12-7-10(14)5-6-11(12)15/h5-7,9,13,16-17H,3-4,8,15H2,1-2H3.
What are the key properties of 1-(2-amino-5-fluoroanilino)-3-ethylpentan-2-ol?
1-(2-amino-5-fluoroanilino)-3-ethylpentan-2-ol has a molecular weight of 240.32 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-fluoroanilino)-3-ethylpentan-2-ol is sourced from PubChem (CID 106284328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).