4-ethyl-2-N-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine

C10H15FN2 — CID 90883048

IUPAC4-ethyl-2-N-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine
SMILESCCc1ccc(NC)c(N(C)F)c1
InChIInChI=1S/C10H15FN2/c1-4-8-5-6-9(12-2)10(7-8)13(3)11/h5-7,12H,4H2,1-3H3
InChIKeyZOPNFHBZOOHKSV-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.61
Rot. Bonds3

About 4-ethyl-2-N-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine

4-ethyl-2-N-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 90883048) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 4-ethyl-2-N-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-ethyl-2-N-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID90883048
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name4-ethyl-2-N-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine
SMILESCCc1ccc(NC)c(N(C)F)c1
InChIInChI=1S/C10H15FN2/c1-4-8-5-6-9(12-2)10(7-8)13(3)11/h5-7,12H,4H2,1-3H3
InChIKeyZOPNFHBZOOHKSV-UHFFFAOYSA-N
XLogP2.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-N-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 4-ethyl-2-N-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine (CID 90883048) is 4-ethyl-2-N-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 4-ethyl-2-N-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 4-ethyl-2-N-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine is CCc1ccc(NC)c(N(C)F)c1.
What is the InChIKey of 4-ethyl-2-N-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is ZOPNFHBZOOHKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-4-8-5-6-9(12-2)10(7-8)13(3)11/h5-7,12H,4H2,1-3H3.
What are the key properties of 4-ethyl-2-N-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine?
4-ethyl-2-N-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 182.24 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-N-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 90883048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).