(2S,4R,9bS)-4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-2-amine

C19H19F3N2 — CID 143368480

IUPAC(2S,4R,9bS)-4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-2-amine
SMILESN[C@@H]1CC2[C@H](C1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1
InChIInChI=1S/C19H19F3N2/c20-19(21,22)12-6-7-17-15(8-12)14-9-13(23)10-16(14)18(24-17)11-4-2-1-3-5-11/h1-8,13-14,16,18,24H,9-10,23H2/t13-,14+,16?,18-/m0/s1
InChIKeyNRTIEGVLHJWVCC-RTDQLFBCSA-N
MW332.37 g/mol
LogP4.69
Rot. Bonds1

About (2S,4R,9bS)-4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-2-amine

(2S,4R,9bS)-4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-2-amine (PubChem CID 143368480) has the molecular formula C19H19F3N2 and a molecular weight of 332.37 g/mol. Its IUPAC name is (2S,4R,9bS)-4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-2-amine.

Molecular Properties

Compound Name(2S,4R,9bS)-4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-2-amine
PubChem CID143368480
Molecular FormulaC19H19F3N2
Molecular Weight332.37 g/mol
Exact Mass332.15
IUPAC Name(2S,4R,9bS)-4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-2-amine
SMILESN[C@@H]1CC2[C@H](C1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1
InChIInChI=1S/C19H19F3N2/c20-19(21,22)12-6-7-17-15(8-12)14-9-13(23)10-16(14)18(24-17)11-4-2-1-3-5-11/h1-8,13-14,16,18,24H,9-10,23H2/t13-,14+,16?,18-/m0/s1
InChIKeyNRTIEGVLHJWVCC-RTDQLFBCSA-N
XLogP4.69
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2R,3aR,4R,9bS)-4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-2-yl]amino]propan-1-ol
CID 59803360
[5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-3-yl]methanamine
CID 11989341
3-methyl-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 59777726
(4aR,5S,10bR)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 70801567
[(2S,4aS,5S,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanamine
CID 59777920
(2S,4aS,5R,10bS)-2-methyl-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 59777691
(E)-[(4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydropyrano[3,2-c]quinolin-2-ylidene]methanamine
CID 162600629
[(5R)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol
CID 143069925
4-[(3aS,4R,9bR)-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-4-yl]benzoic acid
CID 71766413
1-N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-methylpropane-1,2-diamine
CID 59777923
N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-phenylethanamine
CID 59777999
[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl benzoate
CID 59778054

Frequently Asked Questions

What is the IUPAC name of (2S,4R,9bS)-4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-2-amine?
The IUPAC name of (2S,4R,9bS)-4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-2-amine (CID 143368480) is (2S,4R,9bS)-4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-2-amine.
What is the SMILES notation for (2S,4R,9bS)-4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-2-amine?
The canonical SMILES for (2S,4R,9bS)-4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-2-amine is N[C@@H]1CC2[C@H](C1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.
What is the InChIKey of (2S,4R,9bS)-4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-2-amine?
The InChIKey is NRTIEGVLHJWVCC-RTDQLFBCSA-N. The full InChI is InChI=1S/C19H19F3N2/c20-19(21,22)12-6-7-17-15(8-12)14-9-13(23)10-16(14)18(24-17)11-4-2-1-3-5-11/h1-8,13-14,16,18,24H,9-10,23H2/t13-,14+,16?,18-/m0/s1.
What are the key properties of (2S,4R,9bS)-4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-2-amine?
(2S,4R,9bS)-4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-2-amine has a molecular weight of 332.37 g/mol, XLogP of 4.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,9bS)-4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-2-amine is sourced from PubChem (CID 143368480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).