1-(2-amino-3,5-difluoroanilino)-2-methylpentan-2-ol

C12H18F2N2O — CID 106290155

IUPAC1-(2-amino-3,5-difluoroanilino)-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1cc(F)cc(F)c1N
InChIInChI=1S/C12H18F2N2O/c1-3-4-12(2,17)7-16-10-6-8(13)5-9(14)11(10)15/h5-6,16-17H,3-4,7,15H2,1-2H3
InChIKeyNHUAXQVETVGTAA-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.51
Rot. Bonds5

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

1-(2-amino-3,5-difluoroanilino)-2-methylpentan-2-ol (PubChem CID 106290155) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is 1-(2-amino-3,5-difluoroanilino)-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-(2-amino-3,5-difluoroanilino)-2-methylpentan-2-ol
PubChem CID106290155
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC Name1-(2-amino-3,5-difluoroanilino)-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1cc(F)cc(F)c1N
InChIInChI=1S/C12H18F2N2O/c1-3-4-12(2,17)7-16-10-6-8(13)5-9(14)11(10)15/h5-6,16-17H,3-4,7,15H2,1-2H3
InChIKeyNHUAXQVETVGTAA-UHFFFAOYSA-N
XLogP2.51
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.51
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

1-(2-amino-3,5-difluoroanilino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 106141719
1-(3,5-difluoro-2-nitroanilino)-2-methylpentan-2-ol
CID 106290675
2-methyl-1-(2,3,5-trifluoroanilino)butan-2-ol
CID 114493086
1-(2-amino-5-ethoxy-4-fluoroanilino)-2-methylpentan-2-ol
CID 106290189
1-N-tert-butyl-3,5-difluorobenzene-1,2-diamine
CID 115506498
1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 106296405
2-methyl-1-(2,3,4,5,6-pentafluoroanilino)pentan-2-ol
CID 106290709
1-N-[(1-ethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine
CID 115506828
1-(2-amino-3-fluoroanilino)-4-methoxy-2-methylbutan-2-ol
CID 106250724
3,5-difluoro-1-N-(3-fluoropropyl)benzene-1,2-diamine
CID 130503893
methyl 3-(2-amino-3,5-difluoroanilino)propanoate
CID 115506688
3-amino-4-[(2-hydroxy-2-methylpentyl)amino]benzenesulfonamide
CID 106290169

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3,5-difluoroanilino)-2-methylpentan-2-ol?
The IUPAC name of 1-(2-amino-3,5-difluoroanilino)-2-methylpentan-2-ol (CID 106290155) is 1-(2-amino-3,5-difluoroanilino)-2-methylpentan-2-ol.
What is the SMILES notation for 1-(2-amino-3,5-difluoroanilino)-2-methylpentan-2-ol?
The canonical SMILES for 1-(2-amino-3,5-difluoroanilino)-2-methylpentan-2-ol is CCCC(C)(O)CNc1cc(F)cc(F)c1N.
What is the InChIKey of 1-(2-amino-3,5-difluoroanilino)-2-methylpentan-2-ol?
The InChIKey is NHUAXQVETVGTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O/c1-3-4-12(2,17)7-16-10-6-8(13)5-9(14)11(10)15/h5-6,16-17H,3-4,7,15H2,1-2H3.
What are the key properties of 1-(2-amino-3,5-difluoroanilino)-2-methylpentan-2-ol?
1-(2-amino-3,5-difluoroanilino)-2-methylpentan-2-ol has a molecular weight of 244.28 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3,5-difluoroanilino)-2-methylpentan-2-ol is sourced from PubChem (CID 106290155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).