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

C14H20N2O — CID 43752315

IUPAC3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]phenol
SMILESOc1cccc(CNC2CCN3CCCC23)c1
InChIInChI=1S/C14H20N2O/c17-12-4-1-3-11(9-12)10-15-13-6-8-16-7-2-5-14(13)16/h1,3-4,9,13-15,17H,2,5-8,10H2
InChIKeyRGICIXXTAZLIST-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.72
Rot. Bonds3

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

3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]phenol (PubChem CID 43752315) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]phenol.

Molecular Properties

Compound Name3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]phenol
PubChem CID43752315
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]phenol
SMILESOc1cccc(CNC2CCN3CCCC23)c1
InChIInChI=1S/C14H20N2O/c17-12-4-1-3-11(9-12)10-15-13-6-8-16-7-2-5-14(13)16/h1,3-4,9,13-15,17H,2,5-8,10H2
InChIKeyRGICIXXTAZLIST-UHFFFAOYSA-N
XLogP1.72
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-nitrophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752134
N-[(3,4-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752203
2,6-difluoro-4-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]phenol
CID 79831328
3-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77031167
N-(pyridin-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752244
N-[(3-nitrophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694227
3-[[(4-piperidin-1-ylcyclohexyl)amino]methyl]phenol
CID 75408371
N-[(3-propoxyphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 60958213
3-[(cyclobutylamino)methyl]phenol
CID 62416890
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 62096160
4-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenol
CID 82853823
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-hydroxybenzamide
CID 54967315

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]phenol?
The IUPAC name of 3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]phenol (CID 43752315) is 3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]phenol.
What is the SMILES notation for 3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]phenol?
The canonical SMILES for 3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]phenol is Oc1cccc(CNC2CCN3CCCC23)c1.
What is the InChIKey of 3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]phenol?
The InChIKey is RGICIXXTAZLIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c17-12-4-1-3-11(9-12)10-15-13-6-8-16-7-2-5-14(13)16/h1,3-4,9,13-15,17H,2,5-8,10H2.
What are the key properties of 3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]phenol?
3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]phenol has a molecular weight of 232.33 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]phenol is sourced from PubChem (CID 43752315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).