ethane;methanamine;(6S)-6-(4-methylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline

C22H32N2 — CID 142844228

IUPACethane;methanamine;(6S)-6-(4-methylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
SMILESCC.CN.Cc1ccc([C@@H]2CN3CCCC3c3ccccc32)cc1
InChIInChI=1S/C19H21N.C2H6.CH5N/c1-14-8-10-15(11-9-14)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18;2*1-2/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3;1-2H3;2H2,1H3/t18-,19?;;/m0../s1
InChIKeyQCGSYGCRRFWTLZ-XMWICJOTSA-N
MW324.51 g/mol
LogP4.88
Rot. Bonds1

About ethane;methanamine;(6S)-6-(4-methylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline

ethane;methanamine;(6S)-6-(4-methylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline (PubChem CID 142844228) has the molecular formula C22H32N2 and a molecular weight of 324.51 g/mol. Its IUPAC name is ethane;methanamine;(6S)-6-(4-methylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline.

Molecular Properties

Compound Nameethane;methanamine;(6S)-6-(4-methylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
PubChem CID142844228
Molecular FormulaC22H32N2
Molecular Weight324.51 g/mol
Exact Mass324.26
IUPAC Nameethane;methanamine;(6S)-6-(4-methylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
SMILESCC.CN.Cc1ccc([C@@H]2CN3CCCC3c3ccccc32)cc1
InChIInChI=1S/C19H21N.C2H6.CH5N/c1-14-8-10-15(11-9-14)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18;2*1-2/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3;1-2H3;2H2,1H3/t18-,19?;;/m0../s1
InChIKeyQCGSYGCRRFWTLZ-XMWICJOTSA-N
XLogP4.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;methanamine;(6S)-6-(4-methylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;methanamine;(6S)-6-(4-methylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline?
The IUPAC name of ethane;methanamine;(6S)-6-(4-methylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline (CID 142844228) is ethane;methanamine;(6S)-6-(4-methylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline.
What is the SMILES notation for ethane;methanamine;(6S)-6-(4-methylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline?
The canonical SMILES for ethane;methanamine;(6S)-6-(4-methylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline is CC.CN.Cc1ccc([C@@H]2CN3CCCC3c3ccccc32)cc1.
What is the InChIKey of ethane;methanamine;(6S)-6-(4-methylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline?
The InChIKey is QCGSYGCRRFWTLZ-XMWICJOTSA-N. The full InChI is InChI=1S/C19H21N.C2H6.CH5N/c1-14-8-10-15(11-9-14)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18;2*1-2/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3;1-2H3;2H2,1H3/t18-,19?;;/m0../s1.
What are the key properties of ethane;methanamine;(6S)-6-(4-methylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline?
ethane;methanamine;(6S)-6-(4-methylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline has a molecular weight of 324.51 g/mol, XLogP of 4.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanamine;(6S)-6-(4-methylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline is sourced from PubChem (CID 142844228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).