2,6-difluoro-4-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]phenol

C14H18F2N2O — CID 79831328

IUPAC2,6-difluoro-4-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]phenol
SMILESOc1c(F)cc(CNC2CCN3CCCC23)cc1F
InChIInChI=1S/C14H18F2N2O/c15-10-6-9(7-11(16)14(10)19)8-17-12-3-5-18-4-1-2-13(12)18/h6-7,12-13,17,19H,1-5,8H2
InChIKeyJQQDPXKDPPQPHR-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.00
Rot. Bonds3

About 2,6-difluoro-4-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]phenol

2,6-difluoro-4-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]phenol (PubChem CID 79831328) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 2,6-difluoro-4-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]phenol
PubChem CID79831328
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2,6-difluoro-4-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]phenol
SMILESOc1c(F)cc(CNC2CCN3CCCC23)cc1F
InChIInChI=1S/C14H18F2N2O/c15-10-6-9(7-11(16)14(10)19)8-17-12-3-5-18-4-1-2-13(12)18/h6-7,12-13,17,19H,1-5,8H2
InChIKeyJQQDPXKDPPQPHR-UHFFFAOYSA-N
XLogP2.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,6-difluoro-4-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]phenol?
The IUPAC name of 2,6-difluoro-4-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]phenol (CID 79831328) is 2,6-difluoro-4-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]phenol is Oc1c(F)cc(CNC2CCN3CCCC23)cc1F.
What is the InChIKey of 2,6-difluoro-4-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]phenol?
The InChIKey is JQQDPXKDPPQPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c15-10-6-9(7-11(16)14(10)19)8-17-12-3-5-18-4-1-2-13(12)18/h6-7,12-13,17,19H,1-5,8H2.
What are the key properties of 2,6-difluoro-4-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]phenol?
2,6-difluoro-4-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]phenol has a molecular weight of 268.31 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]phenol is sourced from PubChem (CID 79831328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).