3-N-(2-fluoro-6-methylphenyl)-2,5-dimethylbenzene-1,3-diamine

C15H17FN2 — CID 166965194

IUPAC3-N-(2-fluoro-6-methylphenyl)-2,5-dimethylbenzene-1,3-diamine
SMILESCc1cc(N)c(C)c(Nc2c(C)cccc2F)c1
InChIInChI=1S/C15H17FN2/c1-9-7-13(17)11(3)14(8-9)18-15-10(2)5-4-6-12(15)16/h4-8,18H,17H2,1-3H3
InChIKeyBEEMDODXMWJYIB-UHFFFAOYSA-N
MW244.31 g/mol
LogP4.08
Rot. Bonds2

About 3-N-(2-fluoro-6-methylphenyl)-2,5-dimethylbenzene-1,3-diamine

3-N-(2-fluoro-6-methylphenyl)-2,5-dimethylbenzene-1,3-diamine (PubChem CID 166965194) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 3-N-(2-fluoro-6-methylphenyl)-2,5-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-fluoro-6-methylphenyl)-2,5-dimethylbenzene-1,3-diamine
PubChem CID166965194
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name3-N-(2-fluoro-6-methylphenyl)-2,5-dimethylbenzene-1,3-diamine
SMILESCc1cc(N)c(C)c(Nc2c(C)cccc2F)c1
InChIInChI=1S/C15H17FN2/c1-9-7-13(17)11(3)14(8-9)18-15-10(2)5-4-6-12(15)16/h4-8,18H,17H2,1-3H3
InChIKeyBEEMDODXMWJYIB-UHFFFAOYSA-N
XLogP4.08
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2-fluoro-6-methylphenyl)-2,5-dimethylbenzene-1,3-diamine?
The IUPAC name of 3-N-(2-fluoro-6-methylphenyl)-2,5-dimethylbenzene-1,3-diamine (CID 166965194) is 3-N-(2-fluoro-6-methylphenyl)-2,5-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(2-fluoro-6-methylphenyl)-2,5-dimethylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(2-fluoro-6-methylphenyl)-2,5-dimethylbenzene-1,3-diamine is Cc1cc(N)c(C)c(Nc2c(C)cccc2F)c1.
What is the InChIKey of 3-N-(2-fluoro-6-methylphenyl)-2,5-dimethylbenzene-1,3-diamine?
The InChIKey is BEEMDODXMWJYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-9-7-13(17)11(3)14(8-9)18-15-10(2)5-4-6-12(15)16/h4-8,18H,17H2,1-3H3.
What are the key properties of 3-N-(2-fluoro-6-methylphenyl)-2,5-dimethylbenzene-1,3-diamine?
3-N-(2-fluoro-6-methylphenyl)-2,5-dimethylbenzene-1,3-diamine has a molecular weight of 244.31 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-fluoro-6-methylphenyl)-2,5-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 166965194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).