1-(2-amino-5-fluoroanilino)-4,4-dimethylpentan-2-ol

C13H21FN2O — CID 107150865

IUPAC1-(2-amino-5-fluoroanilino)-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNc1cc(F)ccc1N
InChIInChI=1S/C13H21FN2O/c1-13(2,3)7-10(17)8-16-12-6-9(14)4-5-11(12)15/h4-6,10,16-17H,7-8,15H2,1-3H3
InChIKeyBLDBZVSLIGGWNQ-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.62
Rot. Bonds4

About 1-(2-amino-5-fluoroanilino)-4,4-dimethylpentan-2-ol

1-(2-amino-5-fluoroanilino)-4,4-dimethylpentan-2-ol (PubChem CID 107150865) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 1-(2-amino-5-fluoroanilino)-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(2-amino-5-fluoroanilino)-4,4-dimethylpentan-2-ol
PubChem CID107150865
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name1-(2-amino-5-fluoroanilino)-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNc1cc(F)ccc1N
InChIInChI=1S/C13H21FN2O/c1-13(2,3)7-10(17)8-16-12-6-9(14)4-5-11(12)15/h4-6,10,16-17H,7-8,15H2,1-3H3
InChIKeyBLDBZVSLIGGWNQ-UHFFFAOYSA-N
XLogP2.62
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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'}

Analyze 1-(2-amino-5-fluoroanilino)-4,4-dimethylpentan-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-amino-3-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-methylbenzamide
CID 107150888
1-(2-amino-5-fluoroanilino)-3-ethylpentan-2-ol
CID 106284328
1-(2-amino-5-fluoroanilino)-2-methylpropan-2-ol
CID 65103407
4-(2-amino-5-fluoroanilino)butan-2-ol
CID 64927265
N-(2-amino-5-fluorophenyl)-3,5,5-trimethylhexanamide
CID 55169548
1-[(2,5-difluorophenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 103675866
1-[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107150973
3-amino-4-[(2-hydroxy-4,4-dimethylpentyl)amino]benzenesulfonamide
CID 107150923
3-amino-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-methylbenzamide
CID 107150898
1-[(5-aminoisoquinolin-8-yl)amino]-4,4-dimethylpentan-2-ol
CID 107150993
3-amino-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-N,N-dimethylbenzamide
CID 107151012
4-fluoro-2-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide
CID 103830009

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluoroanilino)-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-(2-amino-5-fluoroanilino)-4,4-dimethylpentan-2-ol (CID 107150865) is 1-(2-amino-5-fluoroanilino)-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(2-amino-5-fluoroanilino)-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(2-amino-5-fluoroanilino)-4,4-dimethylpentan-2-ol is CC(C)(C)CC(O)CNc1cc(F)ccc1N.
What is the InChIKey of 1-(2-amino-5-fluoroanilino)-4,4-dimethylpentan-2-ol?
The InChIKey is BLDBZVSLIGGWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-13(2,3)7-10(17)8-16-12-6-9(14)4-5-11(12)15/h4-6,10,16-17H,7-8,15H2,1-3H3.
What are the key properties of 1-(2-amino-5-fluoroanilino)-4,4-dimethylpentan-2-ol?
1-(2-amino-5-fluoroanilino)-4,4-dimethylpentan-2-ol has a molecular weight of 240.32 g/mol, XLogP of 2.62, 4 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)-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 107150865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).