(4aS,5R,10bS)-N,N-dimethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-9-amine

C20H24N2O — CID 46881907

IUPAC(4aS,5R,10bS)-N,N-dimethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-9-amine
SMILESCN(C)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccccc1)N2
InChIInChI=1S/C20H24N2O/c1-22(2)15-10-11-18-17(13-15)20-16(9-6-12-23-20)19(21-18)14-7-4-3-5-8-14/h3-5,7-8,10-11,13,16,19-21H,6,9,12H2,1-2H3/t16-,19-,20-/m0/s1
InChIKeyVXLNQNLWDHJAKM-VDGAXYAQSA-N
MW308.43 g/mol
LogP4.39
Rot. Bonds2

About (4aS,5R,10bS)-N,N-dimethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-9-amine

(4aS,5R,10bS)-N,N-dimethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-9-amine (PubChem CID 46881907) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (4aS,5R,10bS)-N,N-dimethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-9-amine.

Molecular Properties

Compound Name(4aS,5R,10bS)-N,N-dimethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-9-amine
PubChem CID46881907
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(4aS,5R,10bS)-N,N-dimethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-9-amine
SMILESCN(C)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccccc1)N2
InChIInChI=1S/C20H24N2O/c1-22(2)15-10-11-18-17(13-15)20-16(9-6-12-23-20)19(21-18)14-7-4-3-5-8-14/h3-5,7-8,10-11,13,16,19-21H,6,9,12H2,1-2H3/t16-,19-,20-/m0/s1
InChIKeyVXLNQNLWDHJAKM-VDGAXYAQSA-N
XLogP4.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4aS,5R,10bS)-N,N-dimethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-9-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aS,5R,10bS)-N,N-dimethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-9-amine?
The IUPAC name of (4aS,5R,10bS)-N,N-dimethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-9-amine (CID 46881907) is (4aS,5R,10bS)-N,N-dimethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-9-amine.
What is the SMILES notation for (4aS,5R,10bS)-N,N-dimethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-9-amine?
The canonical SMILES for (4aS,5R,10bS)-N,N-dimethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-9-amine is CN(C)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccccc1)N2.
What is the InChIKey of (4aS,5R,10bS)-N,N-dimethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-9-amine?
The InChIKey is VXLNQNLWDHJAKM-VDGAXYAQSA-N. The full InChI is InChI=1S/C20H24N2O/c1-22(2)15-10-11-18-17(13-15)20-16(9-6-12-23-20)19(21-18)14-7-4-3-5-8-14/h3-5,7-8,10-11,13,16,19-21H,6,9,12H2,1-2H3/t16-,19-,20-/m0/s1.
What are the key properties of (4aS,5R,10bS)-N,N-dimethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-9-amine?
(4aS,5R,10bS)-N,N-dimethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-9-amine has a molecular weight of 308.43 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,5R,10bS)-N,N-dimethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-9-amine is sourced from PubChem (CID 46881907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).