N-(3-bromo-5-methylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

C15H21BrN2 — CID 104938392

IUPACN-(3-bromo-5-methylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCc1cc(Br)cc(NC2CCN3CCCC3C2)c1
InChIInChI=1S/C15H21BrN2/c1-11-7-12(16)9-14(8-11)17-13-4-6-18-5-2-3-15(18)10-13/h7-9,13,15,17H,2-6,10H2,1H3
InChIKeyMSYJOXRBYXDZCY-UHFFFAOYSA-N
MW309.25 g/mol
LogP3.80
Rot. Bonds2

About N-(3-bromo-5-methylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

N-(3-bromo-5-methylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (PubChem CID 104938392) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
PubChem CID104938392
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC NameN-(3-bromo-5-methylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCc1cc(Br)cc(NC2CCN3CCCC3C2)c1
InChIInChI=1S/C15H21BrN2/c1-11-7-12(16)9-14(8-11)17-13-4-6-18-5-2-3-15(18)10-13/h7-9,13,15,17H,2-6,10H2,1H3
InChIKeyMSYJOXRBYXDZCY-UHFFFAOYSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The IUPAC name of N-(3-bromo-5-methylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (CID 104938392) is N-(3-bromo-5-methylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is Cc1cc(Br)cc(NC2CCN3CCCC3C2)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The InChIKey is MSYJOXRBYXDZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2/c1-11-7-12(16)9-14(8-11)17-13-4-6-18-5-2-3-15(18)10-13/h7-9,13,15,17H,2-6,10H2,1H3.
What are the key properties of N-(3-bromo-5-methylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
N-(3-bromo-5-methylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine has a molecular weight of 309.25 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is sourced from PubChem (CID 104938392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).