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

C13H19FN2 — CID 60919358

IUPAC1-N-(2-cyclopentylethyl)-2-fluorobenzene-1,4-diamine
SMILESNc1ccc(NCCC2CCCC2)c(F)c1
InChIInChI=1S/C13H19FN2/c14-12-9-11(15)5-6-13(12)16-8-7-10-3-1-2-4-10/h5-6,9-10,16H,1-4,7-8,15H2
InChIKeyUTMDMDUXBGRAKV-UHFFFAOYSA-N
MW222.31 g/mol
LogP3.40
Rot. Bonds4

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

1-N-(2-cyclopentylethyl)-2-fluorobenzene-1,4-diamine (PubChem CID 60919358) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-N-(2-cyclopentylethyl)-2-fluorobenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2-cyclopentylethyl)-2-fluorobenzene-1,4-diamine
PubChem CID60919358
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name1-N-(2-cyclopentylethyl)-2-fluorobenzene-1,4-diamine
SMILESNc1ccc(NCCC2CCCC2)c(F)c1
InChIInChI=1S/C13H19FN2/c14-12-9-11(15)5-6-13(12)16-8-7-10-3-1-2-4-10/h5-6,9-10,16H,1-4,7-8,15H2
InChIKeyUTMDMDUXBGRAKV-UHFFFAOYSA-N
XLogP3.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 53.40
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 1-N-(2-cyclopentylethyl)-2-fluorobenzene-1,4-diamine?
The IUPAC name of 1-N-(2-cyclopentylethyl)-2-fluorobenzene-1,4-diamine (CID 60919358) is 1-N-(2-cyclopentylethyl)-2-fluorobenzene-1,4-diamine.
What is the SMILES notation for 1-N-(2-cyclopentylethyl)-2-fluorobenzene-1,4-diamine?
The canonical SMILES for 1-N-(2-cyclopentylethyl)-2-fluorobenzene-1,4-diamine is Nc1ccc(NCCC2CCCC2)c(F)c1.
What is the InChIKey of 1-N-(2-cyclopentylethyl)-2-fluorobenzene-1,4-diamine?
The InChIKey is UTMDMDUXBGRAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c14-12-9-11(15)5-6-13(12)16-8-7-10-3-1-2-4-10/h5-6,9-10,16H,1-4,7-8,15H2.
What are the key properties of 1-N-(2-cyclopentylethyl)-2-fluorobenzene-1,4-diamine?
1-N-(2-cyclopentylethyl)-2-fluorobenzene-1,4-diamine has a molecular weight of 222.31 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-cyclopentylethyl)-2-fluorobenzene-1,4-diamine is sourced from PubChem (CID 60919358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).