N-(4-bromo-2,3-dichlorophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

C14H17BrCl2N2 — CID 107787830

IUPACN-(4-bromo-2,3-dichlorophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESClc1c(Br)ccc(NC2CCN3CCCC3C2)c1Cl
InChIInChI=1S/C14H17BrCl2N2/c15-11-3-4-12(14(17)13(11)16)18-9-5-7-19-6-1-2-10(19)8-9/h3-4,9-10,18H,1-2,5-8H2
InChIKeyIJGQOONPBSANJU-UHFFFAOYSA-N
MW364.11 g/mol
LogP4.79
Rot. Bonds2

About N-(4-bromo-2,3-dichlorophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

N-(4-bromo-2,3-dichlorophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (PubChem CID 107787830) has the molecular formula C14H17BrCl2N2 and a molecular weight of 364.11 g/mol. Its IUPAC name is N-(4-bromo-2,3-dichlorophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.

Molecular Properties

Compound NameN-(4-bromo-2,3-dichlorophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
PubChem CID107787830
Molecular FormulaC14H17BrCl2N2
Molecular Weight364.11 g/mol
Exact Mass362.00
IUPAC NameN-(4-bromo-2,3-dichlorophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESClc1c(Br)ccc(NC2CCN3CCCC3C2)c1Cl
InChIInChI=1S/C14H17BrCl2N2/c15-11-3-4-12(14(17)13(11)16)18-9-5-7-19-6-1-2-10(19)8-9/h3-4,9-10,18H,1-2,5-8H2
InChIKeyIJGQOONPBSANJU-UHFFFAOYSA-N
XLogP4.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.11
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2,3-dichlorophenyl)-1-cyclopropylpyrrolidin-3-amine
CID 107788003
4-bromo-2,3-dichloro-N-cyclobutylaniline
CID 107787892
4-bromo-2,3-dichloro-N-(3-methylsulfonylcyclohexyl)aniline
CID 107788960
4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-2-bromo-3-fluorobenzenecarbothioamide
CID 107535298
N-[(3-bromo-4-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 83235904
2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-chloropyridine-2,4-diamine
CID 102809339
N-pyrimidin-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 75365664
N-(2-bromo-5-methyl-4-nitrophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 103269399
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-chloropyrimidine-2,4-diamine
CID 112731021
N-(3-bromo-5-methylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 104938392
2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-6-bromophenol
CID 78916565
ethyl 4-(4-bromo-2,3-dichloroanilino)piperidine-1-carboxylate
CID 107787982

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (CID 107787830) is N-(4-bromo-2,3-dichlorophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.
What is the SMILES notation for N-(4-bromo-2,3-dichlorophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The canonical SMILES for N-(4-bromo-2,3-dichlorophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is Clc1c(Br)ccc(NC2CCN3CCCC3C2)c1Cl.
What is the InChIKey of N-(4-bromo-2,3-dichlorophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The InChIKey is IJGQOONPBSANJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrCl2N2/c15-11-3-4-12(14(17)13(11)16)18-9-5-7-19-6-1-2-10(19)8-9/h3-4,9-10,18H,1-2,5-8H2.
What are the key properties of N-(4-bromo-2,3-dichlorophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
N-(4-bromo-2,3-dichlorophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine has a molecular weight of 364.11 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dichlorophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is sourced from PubChem (CID 107787830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).