N-[1-(2-chloro-4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

C16H22ClFN2 — CID 81296909

IUPACN-[1-(2-chloro-4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCC(NC1CCN2CCCC2C1)c1ccc(F)cc1Cl
InChIInChI=1S/C16H22ClFN2/c1-11(15-5-4-12(18)9-16(15)17)19-13-6-8-20-7-2-3-14(20)10-13/h4-5,9,11,13-14,19H,2-3,6-8,10H2,1H3
InChIKeyNEVDLOAJXCFDNU-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.76
Rot. Bonds3

About N-[1-(2-chloro-4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

N-[1-(2-chloro-4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (PubChem CID 81296909) has the molecular formula C16H22ClFN2 and a molecular weight of 296.82 g/mol. Its IUPAC name is N-[1-(2-chloro-4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.

Molecular Properties

Compound NameN-[1-(2-chloro-4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
PubChem CID81296909
Molecular FormulaC16H22ClFN2
Molecular Weight296.82 g/mol
Exact Mass296.15
IUPAC NameN-[1-(2-chloro-4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCC(NC1CCN2CCCC2C1)c1ccc(F)cc1Cl
InChIInChI=1S/C16H22ClFN2/c1-11(15-5-4-12(18)9-16(15)17)19-13-6-8-20-7-2-3-14(20)10-13/h4-5,9,11,13-14,19H,2-3,6-8,10H2,1H3
InChIKeyNEVDLOAJXCFDNU-UHFFFAOYSA-N
XLogP3.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(2-chloro-4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methylpiperidin-3-amine
CID 61210865
N-[1-(3-fluoro-4-methylphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81297104
N-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 78916571
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43763532
4-[[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid
CID 122034889
2-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]ethyl]-5-fluorophenol
CID 63068697
N-[1-(3-methylthiophen-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81298610
N-[1-(1-benzofuran-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81298491
N-[1-(3-methoxyphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 79690670
N-[1-(2-chlorophenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471035
N-[1-(1,3-thiazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 113260246
(7S,8aS)-N-[(1S)-1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 129422390

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The IUPAC name of N-[1-(2-chloro-4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (CID 81296909) is N-[1-(2-chloro-4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.
What is the SMILES notation for N-[1-(2-chloro-4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The canonical SMILES for N-[1-(2-chloro-4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is CC(NC1CCN2CCCC2C1)c1ccc(F)cc1Cl.
What is the InChIKey of N-[1-(2-chloro-4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The InChIKey is NEVDLOAJXCFDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2/c1-11(15-5-4-12(18)9-16(15)17)19-13-6-8-20-7-2-3-14(20)10-13/h4-5,9,11,13-14,19H,2-3,6-8,10H2,1H3.
What are the key properties of N-[1-(2-chloro-4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine has a molecular weight of 296.82 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is sourced from PubChem (CID 81296909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).