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

C17H25BrN2 — CID 81297572

IUPACN-[1-(3-bromophenyl)propyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCCC(NC1CCN2CCCC2C1)c1cccc(Br)c1
InChIInChI=1S/C17H25BrN2/c1-2-17(13-5-3-6-14(18)11-13)19-15-8-10-20-9-4-7-16(20)12-15/h3,5-6,11,15-17,19H,2,4,7-10,12H2,1H3
InChIKeyYTXFOVKGNLZJLO-UHFFFAOYSA-N
MW337.31 g/mol
LogP4.12
Rot. Bonds4

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

N-[1-(3-bromophenyl)propyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (PubChem CID 81297572) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)propyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)propyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
PubChem CID81297572
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC NameN-[1-(3-bromophenyl)propyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCCC(NC1CCN2CCCC2C1)c1cccc(Br)c1
InChIInChI=1S/C17H25BrN2/c1-2-17(13-5-3-6-14(18)11-13)19-15-8-10-20-9-4-7-16(20)12-15/h3,5-6,11,15-17,19H,2,4,7-10,12H2,1H3
InChIKeyYTXFOVKGNLZJLO-UHFFFAOYSA-N
XLogP4.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

4-[1-(3-bromophenyl)propylamino]cyclohexan-1-ol
CID 43761707
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-bromophenyl)-N-methylpropan-1-amine
CID 79933548
N-[1-(3-methoxyphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 79690670
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-bromobenzamide
CID 112728997
N-[1-(3-fluorophenyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 114871649
N-[1-(3-bromophenyl)propyl]-1,1-dioxothian-3-amine
CID 63922699
N-(1-phenylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81296915
N-[1-(3-bromophenyl)propyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43763522
[2-[1-(3-bromophenyl)propylamino]cyclopentyl]methanol
CID 113262133
1-(3-bromophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine
CID 43764793
1-(3-bromophenyl)-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]ethanol
CID 65470485
N-[1-(3-bromophenyl)propyl]butan-2-amine
CID 43756359

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)propyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The IUPAC name of N-[1-(3-bromophenyl)propyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (CID 81297572) is N-[1-(3-bromophenyl)propyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.
What is the SMILES notation for N-[1-(3-bromophenyl)propyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The canonical SMILES for N-[1-(3-bromophenyl)propyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is CCC(NC1CCN2CCCC2C1)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)propyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The InChIKey is YTXFOVKGNLZJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2/c1-2-17(13-5-3-6-14(18)11-13)19-15-8-10-20-9-4-7-16(20)12-15/h3,5-6,11,15-17,19H,2,4,7-10,12H2,1H3.
What are the key properties of N-[1-(3-bromophenyl)propyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
N-[1-(3-bromophenyl)propyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine has a molecular weight of 337.31 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)propyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is sourced from PubChem (CID 81297572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).