(2S,11bS)-N-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine

C19H22N2 — CID 125486415

IUPAC(2S,11bS)-N-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine
SMILESc1ccc(N[C@H]2CCN3CCc4ccccc4[C@@H]3C2)cc1
InChIInChI=1S/C19H22N2/c1-2-7-16(8-3-1)20-17-11-13-21-12-10-15-6-4-5-9-18(15)19(21)14-17/h1-9,17,19-20H,10-14H2/t17-,19-/m0/s1
InChIKeyFGWUBQZLQVDTQM-HKUYNNGSSA-N
MW278.40 g/mol
LogP3.86
Rot. Bonds2

About (2S,11bS)-N-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine

(2S,11bS)-N-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine (PubChem CID 125486415) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (2S,11bS)-N-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine.

Molecular Properties

Compound Name(2S,11bS)-N-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine
PubChem CID125486415
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name(2S,11bS)-N-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine
SMILESc1ccc(N[C@H]2CCN3CCc4ccccc4[C@@H]3C2)cc1
InChIInChI=1S/C19H22N2/c1-2-7-16(8-3-1)20-17-11-13-21-12-10-15-6-4-5-9-18(15)19(21)14-17/h1-9,17,19-20H,10-14H2/t17-,19-/m0/s1
InChIKeyFGWUBQZLQVDTQM-HKUYNNGSSA-N
XLogP3.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,11bS)-N-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine with MolForge

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Related Compounds

(2R,11bR)-2-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
CID 86337762
2-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
CID 135003203
(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine
CID 12940176
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]ethanesulfonamide;hydrochloride
CID 45262031
N-[2-[[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]amino]ethyl]methanesulfonamide
CID 70412322
(2R)-4-anilino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-2-carboxamide
CID 54335655
N-(1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylideneamino)aniline
CID 57263996
(2R,11bS)-2-[methyl(methylsulfamoyl)amino]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
CID 13217504
4-(2,3-dihydro-1H-inden-1-yl)-N-phenylpiperazine-1-carboxamide
CID 110399825
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylacetamide
CID 14107038
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 122364481
(2R,11bS)-9-methoxy-N-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine
CID 67567262

Frequently Asked Questions

What is the IUPAC name of (2S,11bS)-N-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine?
The IUPAC name of (2S,11bS)-N-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine (CID 125486415) is (2S,11bS)-N-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine.
What is the SMILES notation for (2S,11bS)-N-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine?
The canonical SMILES for (2S,11bS)-N-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine is c1ccc(N[C@H]2CCN3CCc4ccccc4[C@@H]3C2)cc1.
What is the InChIKey of (2S,11bS)-N-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine?
The InChIKey is FGWUBQZLQVDTQM-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H22N2/c1-2-7-16(8-3-1)20-17-11-13-21-12-10-15-6-4-5-9-18(15)19(21)14-17/h1-9,17,19-20H,10-14H2/t17-,19-/m0/s1.
What are the key properties of (2S,11bS)-N-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine?
(2S,11bS)-N-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine has a molecular weight of 278.40 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,11bS)-N-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine is sourced from PubChem (CID 125486415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).