2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-4-methoxyphenol

C16H24N2O2 — CID 43694220

IUPAC2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNC2CCN3CCCCC23)c1
InChIInChI=1S/C16H24N2O2/c1-20-13-5-6-16(19)12(10-13)11-17-14-7-9-18-8-3-2-4-15(14)18/h5-6,10,14-15,17,19H,2-4,7-9,11H2,1H3
InChIKeyRRZMICWWCBZJCV-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.12
Rot. Bonds4

About 2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-4-methoxyphenol

2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-4-methoxyphenol (PubChem CID 43694220) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-4-methoxyphenol
PubChem CID43694220
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNC2CCN3CCCCC23)c1
InChIInChI=1S/C16H24N2O2/c1-20-13-5-6-16(19)12(10-13)11-17-14-7-9-18-8-3-2-4-15(14)18/h5-6,10,14-15,17,19H,2-4,7-9,11H2,1H3
InChIKeyRRZMICWWCBZJCV-UHFFFAOYSA-N
XLogP2.12
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]benzene-1,2,3-triol
CID 103953182
N-[(5-chloro-2-methoxyphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 60958335
(1S,8aR)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 96932938
2-[[(1-ethylpiperidin-4-yl)amino]methyl]-4-methoxyphenol
CID 54917281
N-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 104791697
4-methoxy-2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol
CID 28717433
2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-6-bromophenol
CID 61390738
2-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-4-methoxyphenol
CID 83007608
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-4-methoxyphenol
CID 61171148
tert-butyl N-[(1R,2R)-2-[(2-hydroxy-5-methoxyphenyl)methylamino]cyclohexyl]carbamate
CID 90273225
2-[(cyclopentyloxyamino)methyl]-4-methoxyphenol
CID 83229458
4-methoxy-2-[(2-methylazepan-1-yl)methyl]phenol
CID 82980507

Frequently Asked Questions

What is the IUPAC name of 2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-4-methoxyphenol?
The IUPAC name of 2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-4-methoxyphenol (CID 43694220) is 2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-4-methoxyphenol?
The canonical SMILES for 2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-4-methoxyphenol is COc1ccc(O)c(CNC2CCN3CCCCC23)c1.
What is the InChIKey of 2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-4-methoxyphenol?
The InChIKey is RRZMICWWCBZJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-20-13-5-6-16(19)12(10-13)11-17-14-7-9-18-8-3-2-4-15(14)18/h5-6,10,14-15,17,19H,2-4,7-9,11H2,1H3.
What are the key properties of 2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-4-methoxyphenol?
2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-4-methoxyphenol has a molecular weight of 276.38 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-4-methoxyphenol is sourced from PubChem (CID 43694220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).