1-N-(2,3-dimethylcyclopentyl)-3-fluorobenzene-1,2-diamine

C13H19FN2 — CID 64907121

IUPAC1-N-(2,3-dimethylcyclopentyl)-3-fluorobenzene-1,2-diamine
SMILESCC1CCC(Nc2cccc(F)c2N)C1C
InChIInChI=1S/C13H19FN2/c1-8-6-7-11(9(8)2)16-12-5-3-4-10(14)13(12)15/h3-5,8-9,11,16H,6-7,15H2,1-2H3
InChIKeyFDEDTMQMNCAOID-UHFFFAOYSA-N
MW222.31 g/mol
LogP3.25
Rot. Bonds2

About 1-N-(2,3-dimethylcyclopentyl)-3-fluorobenzene-1,2-diamine

1-N-(2,3-dimethylcyclopentyl)-3-fluorobenzene-1,2-diamine (PubChem CID 64907121) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-N-(2,3-dimethylcyclopentyl)-3-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2,3-dimethylcyclopentyl)-3-fluorobenzene-1,2-diamine
PubChem CID64907121
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name1-N-(2,3-dimethylcyclopentyl)-3-fluorobenzene-1,2-diamine
SMILESCC1CCC(Nc2cccc(F)c2N)C1C
InChIInChI=1S/C13H19FN2/c1-8-6-7-11(9(8)2)16-12-5-3-4-10(14)13(12)15/h3-5,8-9,11,16H,6-7,15H2,1-2H3
InChIKeyFDEDTMQMNCAOID-UHFFFAOYSA-N
XLogP3.25
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 53.25
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-(2,3-dimethylcyclopentyl)-3-fluorobenzene-1,2-diamine?
The IUPAC name of 1-N-(2,3-dimethylcyclopentyl)-3-fluorobenzene-1,2-diamine (CID 64907121) is 1-N-(2,3-dimethylcyclopentyl)-3-fluorobenzene-1,2-diamine.
What is the SMILES notation for 1-N-(2,3-dimethylcyclopentyl)-3-fluorobenzene-1,2-diamine?
The canonical SMILES for 1-N-(2,3-dimethylcyclopentyl)-3-fluorobenzene-1,2-diamine is CC1CCC(Nc2cccc(F)c2N)C1C.
What is the InChIKey of 1-N-(2,3-dimethylcyclopentyl)-3-fluorobenzene-1,2-diamine?
The InChIKey is FDEDTMQMNCAOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-8-6-7-11(9(8)2)16-12-5-3-4-10(14)13(12)15/h3-5,8-9,11,16H,6-7,15H2,1-2H3.
What are the key properties of 1-N-(2,3-dimethylcyclopentyl)-3-fluorobenzene-1,2-diamine?
1-N-(2,3-dimethylcyclopentyl)-3-fluorobenzene-1,2-diamine has a molecular weight of 222.31 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,3-dimethylcyclopentyl)-3-fluorobenzene-1,2-diamine is sourced from PubChem (CID 64907121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).