2-N-(2,4-difluorophenyl)-4,5-dimethylbenzene-1,2-diamine

C14H14F2N2 — CID 115126629

IUPAC2-N-(2,4-difluorophenyl)-4,5-dimethylbenzene-1,2-diamine
SMILESCc1cc(N)c(Nc2ccc(F)cc2F)cc1C
InChIInChI=1S/C14H14F2N2/c1-8-5-12(17)14(6-9(8)2)18-13-4-3-10(15)7-11(13)16/h3-7,18H,17H2,1-2H3
InChIKeyXPKIYHVYTMVHIM-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.91
Rot. Bonds2

About 2-N-(2,4-difluorophenyl)-4,5-dimethylbenzene-1,2-diamine

2-N-(2,4-difluorophenyl)-4,5-dimethylbenzene-1,2-diamine (PubChem CID 115126629) has the molecular formula C14H14F2N2 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-N-(2,4-difluorophenyl)-4,5-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,4-difluorophenyl)-4,5-dimethylbenzene-1,2-diamine
PubChem CID115126629
Molecular FormulaC14H14F2N2
Molecular Weight248.28 g/mol
Exact Mass248.11
IUPAC Name2-N-(2,4-difluorophenyl)-4,5-dimethylbenzene-1,2-diamine
SMILESCc1cc(N)c(Nc2ccc(F)cc2F)cc1C
InChIInChI=1S/C14H14F2N2/c1-8-5-12(17)14(6-9(8)2)18-13-4-3-10(15)7-11(13)16/h3-7,18H,17H2,1-2H3
InChIKeyXPKIYHVYTMVHIM-UHFFFAOYSA-N
XLogP3.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-(4-fluorophenyl)-4,5-dimethylbenzene-1,2-diamine
CID 114281220
4-fluoro-2-N-(2,4,5-trimethylphenyl)benzene-1,2-diamine
CID 115124059
4-fluoro-1-N-(4-fluoro-2-methylphenyl)-5-methoxybenzene-1,2-diamine
CID 63599579
2-N-(2,3-difluorophenyl)-4,5-dimethylbenzene-1,2-diamine
CID 114281232
4-N-(2,4-difluorophenyl)benzene-1,4-diamine
CID 4764057
3,5-difluoro-1-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine
CID 113325134
1-N-(2,5-dimethylphenyl)-4-fluorobenzene-1,2-diamine
CID 29067161
3-amino-4-(2,4-difluoroanilino)-N-methylbenzenesulfonamide
CID 43449192
4-bromo-5-fluoro-1-N-(4-fluoro-2-methoxyphenyl)benzene-1,2-diamine
CID 66111706
3-amino-4-(2,4-difluoroanilino)benzenesulfonamide
CID 43153461
4-bromo-1-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine
CID 29067383
1-N-(5-bromo-2,4-difluorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590831

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-difluorophenyl)-4,5-dimethylbenzene-1,2-diamine?
The IUPAC name of 2-N-(2,4-difluorophenyl)-4,5-dimethylbenzene-1,2-diamine (CID 115126629) is 2-N-(2,4-difluorophenyl)-4,5-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(2,4-difluorophenyl)-4,5-dimethylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(2,4-difluorophenyl)-4,5-dimethylbenzene-1,2-diamine is Cc1cc(N)c(Nc2ccc(F)cc2F)cc1C.
What is the InChIKey of 2-N-(2,4-difluorophenyl)-4,5-dimethylbenzene-1,2-diamine?
The InChIKey is XPKIYHVYTMVHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2/c1-8-5-12(17)14(6-9(8)2)18-13-4-3-10(15)7-11(13)16/h3-7,18H,17H2,1-2H3.
What are the key properties of 2-N-(2,4-difluorophenyl)-4,5-dimethylbenzene-1,2-diamine?
2-N-(2,4-difluorophenyl)-4,5-dimethylbenzene-1,2-diamine has a molecular weight of 248.28 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4-difluorophenyl)-4,5-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 115126629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).