1-(2-amino-4-fluoro-N,5-dimethylanilino)-2-methylpropan-2-ol

C12H19FN2O — CID 103590550

IUPAC1-(2-amino-4-fluoro-N,5-dimethylanilino)-2-methylpropan-2-ol
SMILESCc1cc(N(C)CC(C)(C)O)c(N)cc1F
InChIInChI=1S/C12H19FN2O/c1-8-5-11(10(14)6-9(8)13)15(4)7-12(2,3)16/h5-6,16H,7,14H2,1-4H3
InChIKeyOFBZGINQHDPVEH-UHFFFAOYSA-N
MW226.29 g/mol
LogP1.92
Rot. Bonds3

About 1-(2-amino-4-fluoro-N,5-dimethylanilino)-2-methylpropan-2-ol

1-(2-amino-4-fluoro-N,5-dimethylanilino)-2-methylpropan-2-ol (PubChem CID 103590550) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 1-(2-amino-4-fluoro-N,5-dimethylanilino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2-amino-4-fluoro-N,5-dimethylanilino)-2-methylpropan-2-ol
PubChem CID103590550
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name1-(2-amino-4-fluoro-N,5-dimethylanilino)-2-methylpropan-2-ol
SMILESCc1cc(N(C)CC(C)(C)O)c(N)cc1F
InChIInChI=1S/C12H19FN2O/c1-8-5-11(10(14)6-9(8)13)15(4)7-12(2,3)16/h5-6,16H,7,14H2,1-4H3
InChIKeyOFBZGINQHDPVEH-UHFFFAOYSA-N
XLogP1.92
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-fluoro-N,5-dimethylanilino)acetic acid
CID 103590283
2-amino-4-fluoro-5-[(2-hydroxy-2-methylpropyl)-methylamino]benzamide
CID 79386344
1-(2-amino-3-fluoro-N-methylanilino)-2-methylpropan-2-ol
CID 79380492
4-fluoro-1-N,5-dimethyl-1-N-(2-methylbutyl)benzene-1,2-diamine
CID 103589931
1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N,5-dimethylbenzene-1,2-diamine
CID 103590061
2-(2-amino-4-fluoro-N,5-dimethylanilino)-N-propylacetamide
CID 103590092
1-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-2-ol
CID 103590481
1-(3-amino-N,4-dimethylanilino)-2-methylpropan-2-ol
CID 79382345
2-N-(2,2-dimethylpropyl)-4-fluoro-5-iodo-2-N-methylbenzene-1,2-diamine
CID 66102264
1-N-(2,2-dimethylpropyl)-4-fluoro-1-N-methyl-5-propan-2-yloxybenzene-1,2-diamine
CID 63592276
3-(2-chloro-5-fluoro-N,4-dimethylanilino)-2,2-dimethylpropan-1-ol
CID 115135295
4-[(2-hydroxy-2-methylpropyl)-methylamino]-3-methylbenzoic acid
CID 79379105

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-fluoro-N,5-dimethylanilino)-2-methylpropan-2-ol?
The IUPAC name of 1-(2-amino-4-fluoro-N,5-dimethylanilino)-2-methylpropan-2-ol (CID 103590550) is 1-(2-amino-4-fluoro-N,5-dimethylanilino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2-amino-4-fluoro-N,5-dimethylanilino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2-amino-4-fluoro-N,5-dimethylanilino)-2-methylpropan-2-ol is Cc1cc(N(C)CC(C)(C)O)c(N)cc1F.
What is the InChIKey of 1-(2-amino-4-fluoro-N,5-dimethylanilino)-2-methylpropan-2-ol?
The InChIKey is OFBZGINQHDPVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-8-5-11(10(14)6-9(8)13)15(4)7-12(2,3)16/h5-6,16H,7,14H2,1-4H3.
What are the key properties of 1-(2-amino-4-fluoro-N,5-dimethylanilino)-2-methylpropan-2-ol?
1-(2-amino-4-fluoro-N,5-dimethylanilino)-2-methylpropan-2-ol has a molecular weight of 226.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-fluoro-N,5-dimethylanilino)-2-methylpropan-2-ol is sourced from PubChem (CID 103590550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).