N-[(3-bromo-4-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

C15H20BrClN2 — CID 83235904

IUPACN-[(3-bromo-4-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESClc1ccc(CNC2CCN3CCCC3C2)cc1Br
InChIInChI=1S/C15H20BrClN2/c16-14-8-11(3-4-15(14)17)10-18-12-5-7-19-6-1-2-13(19)9-12/h3-4,8,12-13,18H,1-2,5-7,9-10H2
InChIKeyHNQRMTWWWSMPTQ-UHFFFAOYSA-N
MW343.70 g/mol
LogP3.82
Rot. Bonds3

About N-[(3-bromo-4-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

N-[(3-bromo-4-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (PubChem CID 83235904) has the molecular formula C15H20BrClN2 and a molecular weight of 343.70 g/mol. Its IUPAC name is N-[(3-bromo-4-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
PubChem CID83235904
Molecular FormulaC15H20BrClN2
Molecular Weight343.70 g/mol
Exact Mass342.05
IUPAC NameN-[(3-bromo-4-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESClc1ccc(CNC2CCN3CCCC3C2)cc1Br
InChIInChI=1S/C15H20BrClN2/c16-14-8-11(3-4-15(14)17)10-18-12-5-7-19-6-1-2-13(19)9-12/h3-4,8,12-13,18H,1-2,5-7,9-10H2
InChIKeyHNQRMTWWWSMPTQ-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-[(3-bromo-4-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine with MolForge

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Related Compounds

N-[(4-bromo-3-chlorophenyl)methyl]-1-cyclopropylpiperidin-4-amine
CID 103581523
N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112728524
2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-6-bromophenol
CID 78916565
N-[(2-chloro-4-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 106863004
4-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-3-bromobenzoic acid
CID 103260544
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112731894
N-[(4-fluorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine
CID 156782389
N-[(3-bromo-4-chlorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115908020
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-[(3-bromo-4-chlorophenyl)methyl]methanamine
CID 83235910
[4-[(3-bromo-4-chlorophenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone
CID 83232075
3-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]benzamide
CID 78921069
N-(pyridin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112728477

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The IUPAC name of N-[(3-bromo-4-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (CID 83235904) is N-[(3-bromo-4-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.
What is the SMILES notation for N-[(3-bromo-4-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The canonical SMILES for N-[(3-bromo-4-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is Clc1ccc(CNC2CCN3CCCC3C2)cc1Br.
What is the InChIKey of N-[(3-bromo-4-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The InChIKey is HNQRMTWWWSMPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN2/c16-14-8-11(3-4-15(14)17)10-18-12-5-7-19-6-1-2-13(19)9-12/h3-4,8,12-13,18H,1-2,5-7,9-10H2.
What are the key properties of N-[(3-bromo-4-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
N-[(3-bromo-4-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-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-[(3-bromo-4-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is sourced from PubChem (CID 83235904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).