1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine

C15H19FN2O — CID 103590224

IUPAC1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine
SMILESCc1cc(C(C)Nc2cc(C)c(F)cc2N)c(C)o1
InChIInChI=1S/C15H19FN2O/c1-8-5-15(14(17)7-13(8)16)18-10(3)12-6-9(2)19-11(12)4/h5-7,10,18H,17H2,1-4H3
InChIKeyZXOMZHWTHJJJGY-UHFFFAOYSA-N
MW262.33 g/mol
LogP4.10
Rot. Bonds3

About 1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine

1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine (PubChem CID 103590224) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine
PubChem CID103590224
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine
SMILESCc1cc(C(C)Nc2cc(C)c(F)cc2N)c(C)o1
InChIInChI=1S/C15H19FN2O/c1-8-5-15(14(17)7-13(8)16)18-10(3)12-6-9(2)19-11(12)4/h5-7,10,18H,17H2,1-4H3
InChIKeyZXOMZHWTHJJJGY-UHFFFAOYSA-N
XLogP4.10
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine (CID 103590224) is 1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine is Cc1cc(C(C)Nc2cc(C)c(F)cc2N)c(C)o1.
What is the InChIKey of 1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine?
The InChIKey is ZXOMZHWTHJJJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-8-5-15(14(17)7-13(8)16)18-10(3)12-6-9(2)19-11(12)4/h5-7,10,18H,17H2,1-4H3.
What are the key properties of 1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine?
1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine has a molecular weight of 262.33 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine is sourced from PubChem (CID 103590224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).