2-(2-amino-4-fluoroanilino)-2-methylpropan-1-ol

C10H15FN2O — CID 43498840

IUPAC2-(2-amino-4-fluoroanilino)-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1ccc(F)cc1N
InChIInChI=1S/C10H15FN2O/c1-10(2,6-14)13-9-4-3-7(11)5-8(9)12/h3-5,13-14H,6,12H2,1-2H3
InChIKeyNFIKRBAOPLTGQW-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.59
Rot. Bonds3

About 2-(2-amino-4-fluoroanilino)-2-methylpropan-1-ol

2-(2-amino-4-fluoroanilino)-2-methylpropan-1-ol (PubChem CID 43498840) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 2-(2-amino-4-fluoroanilino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(2-amino-4-fluoroanilino)-2-methylpropan-1-ol
PubChem CID43498840
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name2-(2-amino-4-fluoroanilino)-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1ccc(F)cc1N
InChIInChI=1S/C10H15FN2O/c1-10(2,6-14)13-9-4-3-7(11)5-8(9)12/h3-5,13-14H,6,12H2,1-2H3
InChIKeyNFIKRBAOPLTGQW-UHFFFAOYSA-N
XLogP1.59
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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'}

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Related Compounds

3-(2-amino-4-fluoroanilino)-2,3-dimethylbutan-2-ol
CID 106183294
2-(2-amino-4-fluoroanilino)-N-tert-butylacetamide
CID 115355980
N-(2-amino-4-fluorophenyl)-2,2-dimethylbutanamide
CID 28691399
4-fluoro-1-N-(3-methylbut-2-enyl)benzene-1,2-diamine
CID 106182061
5-(2-amino-4-fluoroanilino)pentan-1-ol
CID 107316402
3-(2,4-difluoroanilino)-2,2-dimethylpropan-1-ol
CID 81414588
N-(2-amino-4-fluorophenyl)acetamide;ethane
CID 178102337
2-amino-2-(2-amino-5-fluorophenyl)propan-1-ol
CID 55294956
2-(4-tert-butyl-2-methylanilino)-2-methylpropan-1-ol
CID 115133167
4-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine
CID 18334758
1-N-chloro-4-fluorobenzene-1,2-diamine
CID 175119536
4-fluoro-1-N-(2-phenylpropyl)benzene-1,2-diamine
CID 104591215

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-fluoroanilino)-2-methylpropan-1-ol?
The IUPAC name of 2-(2-amino-4-fluoroanilino)-2-methylpropan-1-ol (CID 43498840) is 2-(2-amino-4-fluoroanilino)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(2-amino-4-fluoroanilino)-2-methylpropan-1-ol?
The canonical SMILES for 2-(2-amino-4-fluoroanilino)-2-methylpropan-1-ol is CC(C)(CO)Nc1ccc(F)cc1N.
What is the InChIKey of 2-(2-amino-4-fluoroanilino)-2-methylpropan-1-ol?
The InChIKey is NFIKRBAOPLTGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-10(2,6-14)13-9-4-3-7(11)5-8(9)12/h3-5,13-14H,6,12H2,1-2H3.
What are the key properties of 2-(2-amino-4-fluoroanilino)-2-methylpropan-1-ol?
2-(2-amino-4-fluoroanilino)-2-methylpropan-1-ol has a molecular weight of 198.24 g/mol, XLogP of 1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-fluoroanilino)-2-methylpropan-1-ol is sourced from PubChem (CID 43498840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).