1-(2-amino-3,5-difluoroanilino)-3-(dimethylamino)-2-methylpropan-2-ol

C12H19F2N3O — CID 106141719

IUPAC1-(2-amino-3,5-difluoroanilino)-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNc1cc(F)cc(F)c1N
InChIInChI=1S/C12H19F2N3O/c1-12(18,7-17(2)3)6-16-10-5-8(13)4-9(14)11(10)15/h4-5,16,18H,6-7,15H2,1-3H3
InChIKeyBYRHMGIETTUMJH-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.27
Rot. Bonds5

About 1-(2-amino-3,5-difluoroanilino)-3-(dimethylamino)-2-methylpropan-2-ol

1-(2-amino-3,5-difluoroanilino)-3-(dimethylamino)-2-methylpropan-2-ol (PubChem CID 106141719) has the molecular formula C12H19F2N3O and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-(2-amino-3,5-difluoroanilino)-3-(dimethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2-amino-3,5-difluoroanilino)-3-(dimethylamino)-2-methylpropan-2-ol
PubChem CID106141719
Molecular FormulaC12H19F2N3O
Molecular Weight259.30 g/mol
Exact Mass259.15
IUPAC Name1-(2-amino-3,5-difluoroanilino)-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNc1cc(F)cc(F)c1N
InChIInChI=1S/C12H19F2N3O/c1-12(18,7-17(2)3)6-16-10-5-8(13)4-9(14)11(10)15/h4-5,16,18H,6-7,15H2,1-3H3
InChIKeyBYRHMGIETTUMJH-UHFFFAOYSA-N
XLogP1.27
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-3,5-difluoroanilino)-2-methylpentan-2-ol
CID 106290155
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-fluorobenzenesulfonamide
CID 106145750
1-(2-amino-3-chloroanilino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 106141808
2-methyl-1-(2,3,5-trifluoroanilino)butan-2-ol
CID 114493086
3-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-fluorobenzamide
CID 106139452
1-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106141985
1-N-tert-butyl-3,5-difluorobenzene-1,2-diamine
CID 115506498
1-(dimethylamino)-2-methyl-3-(2,3,4,5,6-pentafluoroanilino)propan-2-ol
CID 106145626
4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-difluorobenzenesulfonamide
CID 106140232
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,4-difluorobenzenesulfonamide
CID 103838114
3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]benzamide
CID 106141828
1-N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluorobenzene-1,2-diamine
CID 83116976

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3,5-difluoroanilino)-3-(dimethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(2-amino-3,5-difluoroanilino)-3-(dimethylamino)-2-methylpropan-2-ol (CID 106141719) is 1-(2-amino-3,5-difluoroanilino)-3-(dimethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2-amino-3,5-difluoroanilino)-3-(dimethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2-amino-3,5-difluoroanilino)-3-(dimethylamino)-2-methylpropan-2-ol is CN(C)CC(C)(O)CNc1cc(F)cc(F)c1N.
What is the InChIKey of 1-(2-amino-3,5-difluoroanilino)-3-(dimethylamino)-2-methylpropan-2-ol?
The InChIKey is BYRHMGIETTUMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O/c1-12(18,7-17(2)3)6-16-10-5-8(13)4-9(14)11(10)15/h4-5,16,18H,6-7,15H2,1-3H3.
What are the key properties of 1-(2-amino-3,5-difluoroanilino)-3-(dimethylamino)-2-methylpropan-2-ol?
1-(2-amino-3,5-difluoroanilino)-3-(dimethylamino)-2-methylpropan-2-ol has a molecular weight of 259.30 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3,5-difluoroanilino)-3-(dimethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 106141719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).