4-(2-amino-5-fluoroanilino)butan-2-ol

C10H15FN2O — CID 64927265

IUPAC4-(2-amino-5-fluoroanilino)butan-2-ol
SMILESCC(O)CCNc1cc(F)ccc1N
InChIInChI=1S/C10H15FN2O/c1-7(14)4-5-13-10-6-8(11)2-3-9(10)12/h2-3,6-7,13-14H,4-5,12H2,1H3
InChIKeyACHUXNJRMPXXJT-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.59
Rot. Bonds4

About 4-(2-amino-5-fluoroanilino)butan-2-ol

4-(2-amino-5-fluoroanilino)butan-2-ol (PubChem CID 64927265) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 4-(2-amino-5-fluoroanilino)butan-2-ol.

Molecular Properties

Compound Name4-(2-amino-5-fluoroanilino)butan-2-ol
PubChem CID64927265
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name4-(2-amino-5-fluoroanilino)butan-2-ol
SMILESCC(O)CCNc1cc(F)ccc1N
InChIInChI=1S/C10H15FN2O/c1-7(14)4-5-13-10-6-8(11)2-3-9(10)12/h2-3,6-7,13-14H,4-5,12H2,1H3
InChIKeyACHUXNJRMPXXJT-UHFFFAOYSA-N
XLogP1.59
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-amino-5-fluoroanilino)butan-2-ol 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

4-(2-amino-5-bromoanilino)butan-2-ol
CID 65342417
4-amino-3-(3-hydroxybutylamino)benzonitrile
CID 104712041
4-(2-amino-4-chloro-5-fluoroanilino)butan-2-ol
CID 66077275
4-(4-amino-2-fluoroanilino)butan-2-ol
CID 64928841
4-(2-amino-5-fluoroanilino)butan-1-ol
CID 58656023
4-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine
CID 18334758
1-(2-amino-5-fluoroanilino)-4,4-dimethylpentan-2-ol
CID 107150865
1-(2-amino-5-fluoroanilino)-3-ethylpentan-2-ol
CID 106284328
1-(2-amino-5-fluoroanilino)-2-methylpropan-2-ol
CID 65103407
4-(4-amino-2-fluoro-5-methoxyanilino)butan-2-ol
CID 107259327
4-fluoro-2-N-(4-methoxybutyl)benzene-1,2-diamine
CID 58355547
2-amino-4-fluoro-N-(3-hydroxybutyl)benzamide
CID 64913148

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-fluoroanilino)butan-2-ol?
The IUPAC name of 4-(2-amino-5-fluoroanilino)butan-2-ol (CID 64927265) is 4-(2-amino-5-fluoroanilino)butan-2-ol.
What is the SMILES notation for 4-(2-amino-5-fluoroanilino)butan-2-ol?
The canonical SMILES for 4-(2-amino-5-fluoroanilino)butan-2-ol is CC(O)CCNc1cc(F)ccc1N.
What is the InChIKey of 4-(2-amino-5-fluoroanilino)butan-2-ol?
The InChIKey is ACHUXNJRMPXXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-7(14)4-5-13-10-6-8(11)2-3-9(10)12/h2-3,6-7,13-14H,4-5,12H2,1H3.
What are the key properties of 4-(2-amino-5-fluoroanilino)butan-2-ol?
4-(2-amino-5-fluoroanilino)butan-2-ol has a molecular weight of 198.24 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-fluoroanilino)butan-2-ol is sourced from PubChem (CID 64927265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).