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

C15H22N2O — CID 82853823

IUPAC4-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenol
SMILESOc1ccc(CCNC2CCN3CCCC23)cc1
InChIInChI=1S/C15H22N2O/c18-13-5-3-12(4-6-13)7-9-16-14-8-11-17-10-1-2-15(14)17/h3-6,14-16,18H,1-2,7-11H2
InChIKeyWUSFYHDAYOZODK-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.76
Rot. Bonds4

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

4-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenol (PubChem CID 82853823) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenol
PubChem CID82853823
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenol
SMILESOc1ccc(CCNC2CCN3CCCC23)cc1
InChIInChI=1S/C15H22N2O/c18-13-5-3-12(4-6-13)7-9-16-14-8-11-17-10-1-2-15(14)17/h3-6,14-16,18H,1-2,7-11H2
InChIKeyWUSFYHDAYOZODK-UHFFFAOYSA-N
XLogP1.76
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenol?
The IUPAC name of 4-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenol (CID 82853823) is 4-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenol.
What is the SMILES notation for 4-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenol?
The canonical SMILES for 4-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenol is Oc1ccc(CCNC2CCN3CCCC23)cc1.
What is the InChIKey of 4-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenol?
The InChIKey is WUSFYHDAYOZODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c18-13-5-3-12(4-6-13)7-9-16-14-8-11-17-10-1-2-15(14)17/h3-6,14-16,18H,1-2,7-11H2.
What are the key properties of 4-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenol?
4-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenol has a molecular weight of 246.35 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenol is sourced from PubChem (CID 82853823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).