2-N-(1-ethylcyclopropyl)-4-fluorobenzene-1,2-diamine

C11H15FN2 — CID 130909000

IUPAC2-N-(1-ethylcyclopropyl)-4-fluorobenzene-1,2-diamine
SMILESCCC1(Nc2cc(F)ccc2N)CC1
InChIInChI=1S/C11H15FN2/c1-2-11(5-6-11)14-10-7-8(12)3-4-9(10)13/h3-4,7,14H,2,5-6,13H2,1H3
InChIKeyURIRTIJLPKDXSE-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.76
Rot. Bonds3

About 2-N-(1-ethylcyclopropyl)-4-fluorobenzene-1,2-diamine

2-N-(1-ethylcyclopropyl)-4-fluorobenzene-1,2-diamine (PubChem CID 130909000) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 2-N-(1-ethylcyclopropyl)-4-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-ethylcyclopropyl)-4-fluorobenzene-1,2-diamine
PubChem CID130909000
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name2-N-(1-ethylcyclopropyl)-4-fluorobenzene-1,2-diamine
SMILESCCC1(Nc2cc(F)ccc2N)CC1
InChIInChI=1S/C11H15FN2/c1-2-11(5-6-11)14-10-7-8(12)3-4-9(10)13/h3-4,7,14H,2,5-6,13H2,1H3
InChIKeyURIRTIJLPKDXSE-UHFFFAOYSA-N
XLogP2.76
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.76
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 2-N-(1-ethylcyclopropyl)-4-fluorobenzene-1,2-diamine?
The IUPAC name of 2-N-(1-ethylcyclopropyl)-4-fluorobenzene-1,2-diamine (CID 130909000) is 2-N-(1-ethylcyclopropyl)-4-fluorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-(1-ethylcyclopropyl)-4-fluorobenzene-1,2-diamine?
The canonical SMILES for 2-N-(1-ethylcyclopropyl)-4-fluorobenzene-1,2-diamine is CCC1(Nc2cc(F)ccc2N)CC1.
What is the InChIKey of 2-N-(1-ethylcyclopropyl)-4-fluorobenzene-1,2-diamine?
The InChIKey is URIRTIJLPKDXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c1-2-11(5-6-11)14-10-7-8(12)3-4-9(10)13/h3-4,7,14H,2,5-6,13H2,1H3.
What are the key properties of 2-N-(1-ethylcyclopropyl)-4-fluorobenzene-1,2-diamine?
2-N-(1-ethylcyclopropyl)-4-fluorobenzene-1,2-diamine has a molecular weight of 194.25 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-ethylcyclopropyl)-4-fluorobenzene-1,2-diamine is sourced from PubChem (CID 130909000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).