2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3,4-difluorobenzene-1,2-diamine

C14H19F2N3 — CID 62533189

IUPAC2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3,4-difluorobenzene-1,2-diamine
SMILESNc1ccc(F)c(F)c1NC1CCN2CCCCC12
InChIInChI=1S/C14H19F2N3/c15-9-4-5-10(17)14(13(9)16)18-11-6-8-19-7-2-1-3-12(11)19/h4-5,11-12,18H,1-3,6-8,17H2
InChIKeyOWDAWPIVVVUFAM-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.59
Rot. Bonds2

About 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3,4-difluorobenzene-1,2-diamine

2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3,4-difluorobenzene-1,2-diamine (PubChem CID 62533189) has the molecular formula C14H19F2N3 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3,4-difluorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3,4-difluorobenzene-1,2-diamine
PubChem CID62533189
Molecular FormulaC14H19F2N3
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3,4-difluorobenzene-1,2-diamine
SMILESNc1ccc(F)c(F)c1NC1CCN2CCCCC12
InChIInChI=1S/C14H19F2N3/c15-9-4-5-10(17)14(13(9)16)18-11-6-8-19-7-2-1-3-12(11)19/h4-5,11-12,18H,1-3,6-8,17H2
InChIKeyOWDAWPIVVVUFAM-UHFFFAOYSA-N
XLogP2.59
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.59
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 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3,4-difluorobenzene-1,2-diamine?
The IUPAC name of 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3,4-difluorobenzene-1,2-diamine (CID 62533189) is 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3,4-difluorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3,4-difluorobenzene-1,2-diamine?
The canonical SMILES for 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3,4-difluorobenzene-1,2-diamine is Nc1ccc(F)c(F)c1NC1CCN2CCCCC12.
What is the InChIKey of 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3,4-difluorobenzene-1,2-diamine?
The InChIKey is OWDAWPIVVVUFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3/c15-9-4-5-10(17)14(13(9)16)18-11-6-8-19-7-2-1-3-12(11)19/h4-5,11-12,18H,1-3,6-8,17H2.
What are the key properties of 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3,4-difluorobenzene-1,2-diamine?
2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3,4-difluorobenzene-1,2-diamine has a molecular weight of 267.32 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3,4-difluorobenzene-1,2-diamine is sourced from PubChem (CID 62533189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).