N-[(4-fluorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine

C16H23FN2 — CID 156782389

IUPACN-[(4-fluorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine
SMILESFc1ccc(CNC2CCN3CCCCC3C2)cc1
InChIInChI=1S/C16H23FN2/c17-14-6-4-13(5-7-14)12-18-15-8-10-19-9-2-1-3-16(19)11-15/h4-7,15-16,18H,1-3,8-12H2
InChIKeyRTMNKOJFHBFOHS-UHFFFAOYSA-N
MW262.37 g/mol
LogP2.93
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine

N-[(4-fluorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine (PubChem CID 156782389) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine
PubChem CID156782389
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC NameN-[(4-fluorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine
SMILESFc1ccc(CNC2CCN3CCCCC3C2)cc1
InChIInChI=1S/C16H23FN2/c17-14-6-4-13(5-7-14)12-18-15-8-10-19-9-2-1-3-16(19)11-15/h4-7,15-16,18H,1-3,8-12H2
InChIKeyRTMNKOJFHBFOHS-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-fluorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine with MolForge

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Related Compounds

1-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 43234139
N-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 78916571
N-[(4-bromophenyl)methyl]-1-cyclopentylpiperidin-4-amine
CID 90423096
(4-cyclopentylpiperazin-1-yl)-[4-[(4-fluorophenyl)methylamino]cyclohexyl]methanone
CID 68596788
[1-[4-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]phenyl]piperidin-4-yl]methanol
CID 109395470
N-[(3-bromo-4-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 83235904
N-(pyridin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112728477
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]-1-methylpiperidin-4-amine;dihydrochloride
CID 126650805
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-4-fluorobenzamide
CID 113223634
trans-(1R,2R)-1-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine
CID 18660068
3-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]benzamide
CID 78921069

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine (CID 156782389) is N-[(4-fluorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine is Fc1ccc(CNC2CCN3CCCCC3C2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine?
The InChIKey is RTMNKOJFHBFOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c17-14-6-4-13(5-7-14)12-18-15-8-10-19-9-2-1-3-16(19)11-15/h4-7,15-16,18H,1-3,8-12H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine?
N-[(4-fluorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine has a molecular weight of 262.37 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine is sourced from PubChem (CID 156782389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).