3-(2,5-difluoro-4-methylanilino)-2-methylpropan-1-ol

C11H15F2NO — CID 103585509

IUPAC3-(2,5-difluoro-4-methylanilino)-2-methylpropan-1-ol
SMILESCc1cc(F)c(NCC(C)CO)cc1F
InChIInChI=1S/C11H15F2NO/c1-7(6-15)5-14-11-4-9(12)8(2)3-10(11)13/h3-4,7,14-15H,5-6H2,1-2H3
InChIKeyUTZPEPNDOVHCHV-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.31
Rot. Bonds4

About 3-(2,5-difluoro-4-methylanilino)-2-methylpropan-1-ol

3-(2,5-difluoro-4-methylanilino)-2-methylpropan-1-ol (PubChem CID 103585509) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 3-(2,5-difluoro-4-methylanilino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(2,5-difluoro-4-methylanilino)-2-methylpropan-1-ol
PubChem CID103585509
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name3-(2,5-difluoro-4-methylanilino)-2-methylpropan-1-ol
SMILESCc1cc(F)c(NCC(C)CO)cc1F
InChIInChI=1S/C11H15F2NO/c1-7(6-15)5-14-11-4-9(12)8(2)3-10(11)13/h3-4,7,14-15H,5-6H2,1-2H3
InChIKeyUTZPEPNDOVHCHV-UHFFFAOYSA-N
XLogP2.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-1-ol
CID 103590479
3-(3-fluoro-4-methylanilino)-2-methylpropan-1-ol
CID 115871883
N-(2,2-dimethoxyethyl)-2,5-difluoro-4-methylaniline
CID 103584677
3-(2,4-dimethylanilino)-2-methylpropan-1-ol
CID 115871838
3-(2,5-difluoro-4-methylanilino)butan-2-ol
CID 103585594
2,5-difluoro-4-methyl-N-(4-methylpentyl)aniline
CID 103585744
3-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-2-methylpropan-1-ol
CID 62868100
3-[(3-hydroxy-2-methylpropyl)amino]-4-methylbenzonitrile
CID 115872017
4-[(2,5-difluoro-4-methylanilino)methyl]phenol
CID 103585182
N-[2-(2,5-difluoro-4-methylanilino)ethyl]acetamide
CID 107530150
2,5-difluoro-4-methyl-N-(3-phenylbutyl)aniline
CID 103584755
4-fluoro-1-N-(3-methoxy-2-methylpropyl)-5-methylbenzene-1,2-diamine
CID 103590251

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluoro-4-methylanilino)-2-methylpropan-1-ol?
The IUPAC name of 3-(2,5-difluoro-4-methylanilino)-2-methylpropan-1-ol (CID 103585509) is 3-(2,5-difluoro-4-methylanilino)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(2,5-difluoro-4-methylanilino)-2-methylpropan-1-ol?
The canonical SMILES for 3-(2,5-difluoro-4-methylanilino)-2-methylpropan-1-ol is Cc1cc(F)c(NCC(C)CO)cc1F.
What is the InChIKey of 3-(2,5-difluoro-4-methylanilino)-2-methylpropan-1-ol?
The InChIKey is UTZPEPNDOVHCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-7(6-15)5-14-11-4-9(12)8(2)3-10(11)13/h3-4,7,14-15H,5-6H2,1-2H3.
What are the key properties of 3-(2,5-difluoro-4-methylanilino)-2-methylpropan-1-ol?
3-(2,5-difluoro-4-methylanilino)-2-methylpropan-1-ol has a molecular weight of 215.24 g/mol, XLogP of 2.31, 4 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)-2-methylpropan-1-ol is sourced from PubChem (CID 103585509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).