4-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine

C13H12F2N2 — CID 82816183

IUPAC4-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine
SMILESCc1ccc(F)c(Nc2ccc(N)cc2)c1F
InChIInChI=1S/C13H12F2N2/c1-8-2-7-11(14)13(12(8)15)17-10-5-3-9(16)4-6-10/h2-7,17H,16H2,1H3
InChIKeyYMENXCCINLGGPC-UHFFFAOYSA-N
MW234.25 g/mol
LogP3.60
Rot. Bonds2

About 4-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine

4-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine (PubChem CID 82816183) has the molecular formula C13H12F2N2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 4-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine
PubChem CID82816183
Molecular FormulaC13H12F2N2
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name4-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine
SMILESCc1ccc(F)c(Nc2ccc(N)cc2)c1F
InChIInChI=1S/C13H12F2N2/c1-8-2-7-11(14)13(12(8)15)17-10-5-3-9(16)4-6-10/h2-7,17H,16H2,1H3
InChIKeyYMENXCCINLGGPC-UHFFFAOYSA-N
XLogP3.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-N-(2,6-difluoro-3-methylphenyl)pyridine-3,5-diamine
CID 104535596
2-chloro-1-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine
CID 82815883
4-N-(2,6-difluoro-3-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 82799662
4-N-(2,6-difluoro-3-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83005350
4-(2,6-difluoro-3-methylanilino)-2-methylbenzenecarbothioamide
CID 82818839
4-(2,6-difluoro-3-methylanilino)-2-fluorobenzenecarbothioamide
CID 82818840
5-amino-2-(2,6-difluoro-3-methylanilino)benzonitrile
CID 82815807
5-(2,6-difluoro-3-methylanilino)pyridine-2-carbothioamide
CID 82818596
5-(2,6-difluoro-3-methylanilino)pyridine-2-carboxylic acid
CID 104638966
5-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile
CID 82818919
1-(4-aminophenyl)-N-(2,6-difluoro-3-methylphenyl)methanesulfonamide
CID 82799003
5-N-(2,6-difluoro-3-methylphenyl)-3-N-methylpyridine-3,5-diamine
CID 104535597

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine (CID 82816183) is 4-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine is Cc1ccc(F)c(Nc2ccc(N)cc2)c1F.
What is the InChIKey of 4-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine?
The InChIKey is YMENXCCINLGGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2/c1-8-2-7-11(14)13(12(8)15)17-10-5-3-9(16)4-6-10/h2-7,17H,16H2,1H3.
What are the key properties of 4-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine?
4-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine has a molecular weight of 234.25 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 82816183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).