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

C14H14F2N2 — CID 154647860

IUPAC5-fluoro-3-N-(2-fluoro-6-methylphenyl)-2-methylbenzene-1,3-diamine
SMILESCc1cccc(F)c1Nc1cc(F)cc(N)c1C
InChIInChI=1S/C14H14F2N2/c1-8-4-3-5-11(16)14(8)18-13-7-10(15)6-12(17)9(13)2/h3-7,18H,17H2,1-2H3
InChIKeyXIKBEXGKKMERHO-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.91
Rot. Bonds2

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

5-fluoro-3-N-(2-fluoro-6-methylphenyl)-2-methylbenzene-1,3-diamine (PubChem CID 154647860) has the molecular formula C14H14F2N2 and a molecular weight of 248.28 g/mol. Its IUPAC name is 5-fluoro-3-N-(2-fluoro-6-methylphenyl)-2-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name5-fluoro-3-N-(2-fluoro-6-methylphenyl)-2-methylbenzene-1,3-diamine
PubChem CID154647860
Molecular FormulaC14H14F2N2
Molecular Weight248.28 g/mol
Exact Mass248.11
IUPAC Name5-fluoro-3-N-(2-fluoro-6-methylphenyl)-2-methylbenzene-1,3-diamine
SMILESCc1cccc(F)c1Nc1cc(F)cc(N)c1C
InChIInChI=1S/C14H14F2N2/c1-8-4-3-5-11(16)14(8)18-13-7-10(15)6-12(17)9(13)2/h3-7,18H,17H2,1-2H3
InChIKeyXIKBEXGKKMERHO-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

3-N-(2-fluoro-6-methylphenyl)-2,5-dimethylbenzene-1,3-diamine
CID 166965194
5-fluoro-3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine
CID 154997215
2-fluoro-N,6-dimethylaniline;hydrochloride
CID 167737520
2-N-(4-bromo-2-fluorophenyl)-3-methylbenzene-1,2-diamine
CID 115549996
2-N-(4-bromo-2,5-difluorophenyl)-3-methylbenzene-1,2-diamine
CID 107609012
2-N-(4-fluoro-2-iodophenyl)-3-methylbenzene-1,2-diamine
CID 115550702
5-chloro-4-N-(2-fluoro-6-methylphenyl)pyridine-3,4-diamine
CID 114285893
3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine
CID 63077293
3-N-(3-fluoro-5-methylphenyl)-2-methylbenzene-1,3-diamine
CID 79048706
3-fluoro-2-N-(4-fluoro-3-methylphenyl)benzene-1,2-diamine
CID 115125585
4-chloro-2-N-(2-chloro-6-methylphenyl)benzene-1,2-diamine
CID 115469101
4-fluoro-1-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine
CID 20780029

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-N-(2-fluoro-6-methylphenyl)-2-methylbenzene-1,3-diamine?
The IUPAC name of 5-fluoro-3-N-(2-fluoro-6-methylphenyl)-2-methylbenzene-1,3-diamine (CID 154647860) is 5-fluoro-3-N-(2-fluoro-6-methylphenyl)-2-methylbenzene-1,3-diamine.
What is the SMILES notation for 5-fluoro-3-N-(2-fluoro-6-methylphenyl)-2-methylbenzene-1,3-diamine?
The canonical SMILES for 5-fluoro-3-N-(2-fluoro-6-methylphenyl)-2-methylbenzene-1,3-diamine is Cc1cccc(F)c1Nc1cc(F)cc(N)c1C.
What is the InChIKey of 5-fluoro-3-N-(2-fluoro-6-methylphenyl)-2-methylbenzene-1,3-diamine?
The InChIKey is XIKBEXGKKMERHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2/c1-8-4-3-5-11(16)14(8)18-13-7-10(15)6-12(17)9(13)2/h3-7,18H,17H2,1-2H3.
What are the key properties of 5-fluoro-3-N-(2-fluoro-6-methylphenyl)-2-methylbenzene-1,3-diamine?
5-fluoro-3-N-(2-fluoro-6-methylphenyl)-2-methylbenzene-1,3-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 5-fluoro-3-N-(2-fluoro-6-methylphenyl)-2-methylbenzene-1,3-diamine is sourced from PubChem (CID 154647860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).