2,5-difluoro-N-(3-methylbutan-2-yl)aniline

C11H15F2N — CID 43192572

IUPAC2,5-difluoro-N-(3-methylbutan-2-yl)aniline
SMILESCC(C)C(C)Nc1cc(F)ccc1F
InChIInChI=1S/C11H15F2N/c1-7(2)8(3)14-11-6-9(12)4-5-10(11)13/h4-8,14H,1-3H3
InChIKeyPNLQMJFNITVXCI-UHFFFAOYSA-N
MW199.24 g/mol
LogP3.42
Rot. Bonds3

About 2,5-difluoro-N-(3-methylbutan-2-yl)aniline

2,5-difluoro-N-(3-methylbutan-2-yl)aniline (PubChem CID 43192572) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 2,5-difluoro-N-(3-methylbutan-2-yl)aniline.

Molecular Properties

Compound Name2,5-difluoro-N-(3-methylbutan-2-yl)aniline
PubChem CID43192572
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name2,5-difluoro-N-(3-methylbutan-2-yl)aniline
SMILESCC(C)C(C)Nc1cc(F)ccc1F
InChIInChI=1S/C11H15F2N/c1-7(2)8(3)14-11-6-9(12)4-5-10(11)13/h4-8,14H,1-3H3
InChIKeyPNLQMJFNITVXCI-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]-2,5-difluoroaniline
CID 43192587
N-(2,5-difluorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 115206228
N-[1-(2,4-difluorophenyl)ethyl]-2,5-difluoroaniline
CID 43192585
2-fluoro-N-(3-methylbutan-2-yl)-5-methylsulfonylaniline
CID 43717671
2,5-difluoro-N-(1-phenylethyl)aniline
CID 43178058
3-(2,5-difluoroanilino)-2-methylbutan-2-ol
CID 65332839
4-fluoro-3-(3-methylbutan-2-ylamino)benzamide
CID 43701145
2-[(2,5-difluoroanilino)methyl]-3-methylbutan-1-ol
CID 115251833
N-[1-(4-tert-butylphenyl)ethyl]-2,5-difluoroaniline
CID 43106797
2,5-difluoro-N-nonan-2-ylaniline
CID 43129763
2,5-difluoro-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 60972171
2,5-difluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828016

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(3-methylbutan-2-yl)aniline?
The IUPAC name of 2,5-difluoro-N-(3-methylbutan-2-yl)aniline (CID 43192572) is 2,5-difluoro-N-(3-methylbutan-2-yl)aniline.
What is the SMILES notation for 2,5-difluoro-N-(3-methylbutan-2-yl)aniline?
The canonical SMILES for 2,5-difluoro-N-(3-methylbutan-2-yl)aniline is CC(C)C(C)Nc1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-(3-methylbutan-2-yl)aniline?
The InChIKey is PNLQMJFNITVXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-7(2)8(3)14-11-6-9(12)4-5-10(11)13/h4-8,14H,1-3H3.
What are the key properties of 2,5-difluoro-N-(3-methylbutan-2-yl)aniline?
2,5-difluoro-N-(3-methylbutan-2-yl)aniline has a molecular weight of 199.24 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(3-methylbutan-2-yl)aniline is sourced from PubChem (CID 43192572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).