3-(2,5-difluoro-4-methylanilino)butan-2-ol

C11H15F2NO — CID 103585594

IUPAC3-(2,5-difluoro-4-methylanilino)butan-2-ol
SMILESCc1cc(F)c(NC(C)C(C)O)cc1F
InChIInChI=1S/C11H15F2NO/c1-6-4-10(13)11(5-9(6)12)14-7(2)8(3)15/h4-5,7-8,14-15H,1-3H3
InChIKeyQHQSUNDUJZKNEQ-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.45
Rot. Bonds3

About 3-(2,5-difluoro-4-methylanilino)butan-2-ol

3-(2,5-difluoro-4-methylanilino)butan-2-ol (PubChem CID 103585594) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 3-(2,5-difluoro-4-methylanilino)butan-2-ol.

Molecular Properties

Compound Name3-(2,5-difluoro-4-methylanilino)butan-2-ol
PubChem CID103585594
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name3-(2,5-difluoro-4-methylanilino)butan-2-ol
SMILESCc1cc(F)c(NC(C)C(C)O)cc1F
InChIInChI=1S/C11H15F2NO/c1-6-4-10(13)11(5-9(6)12)14-7(2)8(3)15/h4-5,7-8,14-15H,1-3H3
InChIKeyQHQSUNDUJZKNEQ-UHFFFAOYSA-N
XLogP2.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-but-3-yn-2-yl-2,5-difluoro-4-methylaniline
CID 103585508
3-(2,5-difluoro-4-methylanilino)-2-methylpropan-1-ol
CID 103585509
N-(1-ethylsulfonylpropan-2-yl)-2,5-difluoro-4-methylaniline
CID 103584982
N-carbamoyl-2-(2,5-difluoro-4-methylanilino)propanamide
CID 103585757
N-[1-(3,4-dimethylphenyl)ethyl]-2,5-difluoro-4-methylaniline
CID 103585111
tert-butyl 2-(2,5-difluoro-4-methylanilino)propanoate
CID 103585492
N-(1-ethoxypropan-2-yl)-2,5-difluoro-4-methylaniline
CID 103585345
2,5-difluoro-4-methyl-N-(4-phenylbutan-2-yl)aniline
CID 103585001
N-(2,2-dimethoxyethyl)-2,5-difluoro-4-methylaniline
CID 103584677
2,4,5-trifluoro-N-(3-methylpentan-2-yl)aniline
CID 62814836
methyl 5-[1-(2,5-difluoro-4-methylanilino)ethyl]furan-2-carboxylate
CID 103586415
5-bromo-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]-2,4-difluoroaniline
CID 102852987

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluoro-4-methylanilino)butan-2-ol?
The IUPAC name of 3-(2,5-difluoro-4-methylanilino)butan-2-ol (CID 103585594) is 3-(2,5-difluoro-4-methylanilino)butan-2-ol.
What is the SMILES notation for 3-(2,5-difluoro-4-methylanilino)butan-2-ol?
The canonical SMILES for 3-(2,5-difluoro-4-methylanilino)butan-2-ol is Cc1cc(F)c(NC(C)C(C)O)cc1F.
What is the InChIKey of 3-(2,5-difluoro-4-methylanilino)butan-2-ol?
The InChIKey is QHQSUNDUJZKNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-6-4-10(13)11(5-9(6)12)14-7(2)8(3)15/h4-5,7-8,14-15H,1-3H3.
What are the key properties of 3-(2,5-difluoro-4-methylanilino)butan-2-ol?
3-(2,5-difluoro-4-methylanilino)butan-2-ol has a molecular weight of 215.24 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluoro-4-methylanilino)butan-2-ol is sourced from PubChem (CID 103585594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).