3,4-difluoro-N-(2-propan-2-ylphenyl)aniline

C15H15F2N — CID 82536586

IUPAC3,4-difluoro-N-(2-propan-2-ylphenyl)aniline
SMILESCC(C)c1ccccc1Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H15F2N/c1-10(2)12-5-3-4-6-15(12)18-11-7-8-13(16)14(17)9-11/h3-10,18H,1-2H3
InChIKeyOPXUZXTUJMXSMC-UHFFFAOYSA-N
MW247.29 g/mol
LogP4.83
Rot. Bonds3

About 3,4-difluoro-N-(2-propan-2-ylphenyl)aniline

3,4-difluoro-N-(2-propan-2-ylphenyl)aniline (PubChem CID 82536586) has the molecular formula C15H15F2N and a molecular weight of 247.29 g/mol. Its IUPAC name is 3,4-difluoro-N-(2-propan-2-ylphenyl)aniline.

Molecular Properties

Compound Name3,4-difluoro-N-(2-propan-2-ylphenyl)aniline
PubChem CID82536586
Molecular FormulaC15H15F2N
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3,4-difluoro-N-(2-propan-2-ylphenyl)aniline
SMILESCC(C)c1ccccc1Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H15F2N/c1-10(2)12-5-3-4-6-15(12)18-11-7-8-13(16)14(17)9-11/h3-10,18H,1-2H3
InChIKeyOPXUZXTUJMXSMC-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-chlorophenyl)-2-propan-2-ylaniline
CID 82536589
1-N-phenyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-diamine
CID 141333643
5-(3,4-difluoroanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109243776
3-(3,4-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 109036765
3-N-(2-propan-2-ylphenyl)benzene-1,3-diamine
CID 43132792
2-N-(3,4-difluorophenyl)-1-N-(2-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142345
3,4-difluoro-2-N-(2-propan-2-ylphenyl)benzene-1,2-diamine
CID 55086406
2-methyl-4-(2-propan-2-ylanilino)benzenecarbothioamide
CID 81279604
3,4-difluoro-N-[1-(2-methylphenyl)ethyl]aniline
CID 43193860
N-(4-chlorophenyl)-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine
CID 54805498
4-N-(3,4-difluorophenyl)-2-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109092464
2-(3-fluoro-4-propan-2-ylanilino)-N-phenylbenzamide
CID 59531640

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(2-propan-2-ylphenyl)aniline?
The IUPAC name of 3,4-difluoro-N-(2-propan-2-ylphenyl)aniline (CID 82536586) is 3,4-difluoro-N-(2-propan-2-ylphenyl)aniline.
What is the SMILES notation for 3,4-difluoro-N-(2-propan-2-ylphenyl)aniline?
The canonical SMILES for 3,4-difluoro-N-(2-propan-2-ylphenyl)aniline is CC(C)c1ccccc1Nc1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(2-propan-2-ylphenyl)aniline?
The InChIKey is OPXUZXTUJMXSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N/c1-10(2)12-5-3-4-6-15(12)18-11-7-8-13(16)14(17)9-11/h3-10,18H,1-2H3.
What are the key properties of 3,4-difluoro-N-(2-propan-2-ylphenyl)aniline?
3,4-difluoro-N-(2-propan-2-ylphenyl)aniline has a molecular weight of 247.29 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(2-propan-2-ylphenyl)aniline is sourced from PubChem (CID 82536586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).