N-[(5-bromo-2-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

C15H20BrClN2 — CID 103792591

IUPACN-[(5-bromo-2-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESClc1ccc(Br)cc1CNC1CCN2CCCCC12
InChIInChI=1S/C15H20BrClN2/c16-12-4-5-13(17)11(9-12)10-18-14-6-8-19-7-2-1-3-15(14)19/h4-5,9,14-15,18H,1-3,6-8,10H2
InChIKeyZLYPLXVHRQKIPF-UHFFFAOYSA-N
MW343.70 g/mol
LogP3.82
Rot. Bonds3

About N-[(5-bromo-2-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

N-[(5-bromo-2-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (PubChem CID 103792591) has the molecular formula C15H20BrClN2 and a molecular weight of 343.70 g/mol. Its IUPAC name is N-[(5-bromo-2-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
PubChem CID103792591
Molecular FormulaC15H20BrClN2
Molecular Weight343.70 g/mol
Exact Mass342.05
IUPAC NameN-[(5-bromo-2-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESClc1ccc(Br)cc1CNC1CCN2CCCCC12
InChIInChI=1S/C15H20BrClN2/c16-12-4-5-13(17)11(9-12)10-18-14-6-8-19-7-2-1-3-15(14)19/h4-5,9,14-15,18H,1-3,6-8,10H2
InChIKeyZLYPLXVHRQKIPF-UHFFFAOYSA-N
XLogP3.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.70
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

N-[(2,5-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 65316441
N-[(5-bromo-2-prop-2-ynoxyphenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 60782101
N-[(3,4-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752203
2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-6-bromophenol
CID 61390738
N-[(5-bromo-2-chlorophenyl)methyl]cyclobutanamine
CID 103793012
4-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]benzene-1,2,3-triol
CID 103953182
N-[(2-bromo-4-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 54967491
N-[(5-chloro-2-methoxyphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 60958335
N-[(3-bromo-4-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 115876037
2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-4-methoxyphenol
CID 43694220
(1S,8aR)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 96932938
N-[(5-bromo-2-chlorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 114076581

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The IUPAC name of N-[(5-bromo-2-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (CID 103792591) is N-[(5-bromo-2-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.
What is the SMILES notation for N-[(5-bromo-2-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The canonical SMILES for N-[(5-bromo-2-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is Clc1ccc(Br)cc1CNC1CCN2CCCCC12.
What is the InChIKey of N-[(5-bromo-2-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The InChIKey is ZLYPLXVHRQKIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN2/c16-12-4-5-13(17)11(9-12)10-18-14-6-8-19-7-2-1-3-15(14)19/h4-5,9,14-15,18H,1-3,6-8,10H2.
What are the key properties of N-[(5-bromo-2-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
N-[(5-bromo-2-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine has a molecular weight of 343.70 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is sourced from PubChem (CID 103792591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).