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

C16H23FN2 — CID 43694434

IUPACN-[1-(4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCC(NC1CCN2CCCCC12)c1ccc(F)cc1
InChIInChI=1S/C16H23FN2/c1-12(13-5-7-14(17)8-6-13)18-15-9-11-19-10-3-2-4-16(15)19/h5-8,12,15-16,18H,2-4,9-11H2,1H3
InChIKeyHJDCDKXKPCABKR-UHFFFAOYSA-N
MW262.37 g/mol
LogP3.10
Rot. Bonds3

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

N-[1-(4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (PubChem CID 43694434) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
PubChem CID43694434
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCC(NC1CCN2CCCCC12)c1ccc(F)cc1
InChIInChI=1S/C16H23FN2/c1-12(13-5-7-14(17)8-6-13)18-15-9-11-19-10-3-2-4-16(15)19/h5-8,12,15-16,18H,2-4,9-11H2,1H3
InChIKeyHJDCDKXKPCABKR-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[4-(dimethylamino)phenyl]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43783408
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694247
N-[1-(1H-pyrazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 54881794
[4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]urea
CID 43792627
N-(1-thiophen-3-ylethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 62090694
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 81345182
2-[1-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile
CID 62742248
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752346
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 81346875
2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81347113
N-[1-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 43766679
N-(1-cyclopentylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 55096518

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (CID 43694434) is N-[1-(4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is CC(NC1CCN2CCCCC12)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The InChIKey is HJDCDKXKPCABKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c1-12(13-5-7-14(17)8-6-13)18-15-9-11-19-10-3-2-4-16(15)19/h5-8,12,15-16,18H,2-4,9-11H2,1H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
N-[1-(4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine has a molecular weight of 262.37 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is sourced from PubChem (CID 43694434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).