1-(6-amino-2,3-difluoroanilino)-2-methylbutan-2-ol

C11H16F2N2O — CID 65103314

IUPAC1-(6-amino-2,3-difluoroanilino)-2-methylbutan-2-ol
SMILESCCC(C)(O)CNc1c(N)ccc(F)c1F
InChIInChI=1S/C11H16F2N2O/c1-3-11(2,16)6-15-10-8(14)5-4-7(12)9(10)13/h4-5,15-16H,3,6,14H2,1-2H3
InChIKeyIGFGNSIGVQXXLB-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.12
Rot. Bonds4

About 1-(6-amino-2,3-difluoroanilino)-2-methylbutan-2-ol

1-(6-amino-2,3-difluoroanilino)-2-methylbutan-2-ol (PubChem CID 65103314) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-(6-amino-2,3-difluoroanilino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(6-amino-2,3-difluoroanilino)-2-methylbutan-2-ol
PubChem CID65103314
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name1-(6-amino-2,3-difluoroanilino)-2-methylbutan-2-ol
SMILESCCC(C)(O)CNc1c(N)ccc(F)c1F
InChIInChI=1S/C11H16F2N2O/c1-3-11(2,16)6-15-10-8(14)5-4-7(12)9(10)13/h4-5,15-16H,3,6,14H2,1-2H3
InChIKeyIGFGNSIGVQXXLB-UHFFFAOYSA-N
XLogP2.12
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.12
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-(6-amino-2,3-difluoroanilino)-2,4-dimethylpentan-2-ol
CID 66180718
2-N-(2-ethyl-2-methylsulfanylbutyl)-3,4-difluorobenzene-1,2-diamine
CID 114115574
1-(2-amino-6-methylanilino)-2-methylbutan-2-ol
CID 115550619
1-(6-amino-3-chloro-2-fluoroanilino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 114271169
3-(6-amino-2,3-difluoroanilino)propan-1-ol
CID 62532991
ethyl 4-(6-amino-2,3-difluoroanilino)butanoate
CID 64576159
2-N-(2-ethoxyethyl)-3,4-difluorobenzene-1,2-diamine
CID 62532492
1-(6-amino-3-chloro-2-fluoroanilino)-4-methoxy-2-methylbutan-2-ol
CID 114271170
3,4-difluoro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,2-diamine
CID 79352222
2-N-[3-(diethylamino)propyl]-3,4-difluorobenzene-1,2-diamine
CID 62531613
1-(2,6-diethylanilino)-2-methylbutan-2-ol
CID 114493054
2-methyl-1-(2,3,5-trifluoroanilino)butan-2-ol
CID 114493086

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2,3-difluoroanilino)-2-methylbutan-2-ol?
The IUPAC name of 1-(6-amino-2,3-difluoroanilino)-2-methylbutan-2-ol (CID 65103314) is 1-(6-amino-2,3-difluoroanilino)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(6-amino-2,3-difluoroanilino)-2-methylbutan-2-ol?
The canonical SMILES for 1-(6-amino-2,3-difluoroanilino)-2-methylbutan-2-ol is CCC(C)(O)CNc1c(N)ccc(F)c1F.
What is the InChIKey of 1-(6-amino-2,3-difluoroanilino)-2-methylbutan-2-ol?
The InChIKey is IGFGNSIGVQXXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O/c1-3-11(2,16)6-15-10-8(14)5-4-7(12)9(10)13/h4-5,15-16H,3,6,14H2,1-2H3.
What are the key properties of 1-(6-amino-2,3-difluoroanilino)-2-methylbutan-2-ol?
1-(6-amino-2,3-difluoroanilino)-2-methylbutan-2-ol has a molecular weight of 230.26 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2,3-difluoroanilino)-2-methylbutan-2-ol is sourced from PubChem (CID 65103314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).