N-[1-(3-methoxyphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

C17H26N2O — CID 79690670

IUPACN-[1-(3-methoxyphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCOc1cccc(C(C)NC2CCN3CCCC3C2)c1
InChIInChI=1S/C17H26N2O/c1-13(14-5-3-7-17(11-14)20-2)18-15-8-10-19-9-4-6-16(19)12-15/h3,5,7,11,13,15-16,18H,4,6,8-10,12H2,1-2H3
InChIKeyMUAPBOGGVMNDLW-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.97
Rot. Bonds4

About N-[1-(3-methoxyphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

N-[1-(3-methoxyphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (PubChem CID 79690670) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
PubChem CID79690670
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[1-(3-methoxyphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCOc1cccc(C(C)NC2CCN3CCCC3C2)c1
InChIInChI=1S/C17H26N2O/c1-13(14-5-3-7-17(11-14)20-2)18-15-8-10-19-9-4-6-16(19)12-15/h3,5,7,11,13,15-16,18H,4,6,8-10,12H2,1-2H3
InChIKeyMUAPBOGGVMNDLW-UHFFFAOYSA-N
XLogP2.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(3-methoxyphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine with MolForge

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Related Compounds

N-[1-(3-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 79690675
N-[1-(3-methoxyphenyl)ethyl]-1-propan-2-ylazepan-4-amine
CID 65073855
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine
CID 81376076
N-[1-(3-fluoro-4-methylphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81297104
N-[1-(3-methoxyphenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103729416
1-ethyl-N-[1-(3-methoxyphenyl)ethyl]piperidin-3-amine
CID 61171340
N-[(1R)-1-(3-methoxyphenyl)ethyl]oxetan-3-amine
CID 81375713
N-[1-(3-methoxyphenyl)ethyl]oxan-3-amine
CID 55188770
4-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81376641
3-[1-(3-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066771
N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyloxan-4-amine
CID 81376823
N-[(1R)-1-(3-methoxyphenyl)ethyl]oxan-4-amine
CID 81376724

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (CID 79690670) is N-[1-(3-methoxyphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.
What is the SMILES notation for N-[1-(3-methoxyphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The canonical SMILES for N-[1-(3-methoxyphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is COc1cccc(C(C)NC2CCN3CCCC3C2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The InChIKey is MUAPBOGGVMNDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(14-5-3-7-17(11-14)20-2)18-15-8-10-19-9-4-6-16(19)12-15/h3,5,7,11,13,15-16,18H,4,6,8-10,12H2,1-2H3.
What are the key properties of N-[1-(3-methoxyphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
N-[1-(3-methoxyphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine has a molecular weight of 274.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is sourced from PubChem (CID 79690670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).