7-methoxy-2-methyl-3-(3-phenylpropyl)-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole

C23H29NO — CID 19793364

IUPAC7-methoxy-2-methyl-3-(3-phenylpropyl)-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole
SMILESCOc1ccc2c(c1)CCC1C2CN(C)C1CCCc1ccccc1
InChIInChI=1S/C23H29NO/c1-24-16-22-20-14-12-19(25-2)15-18(20)11-13-21(22)23(24)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,12,14-15,21-23H,6,9-11,13,16H2,1-2H3
InChIKeyLQLDDDODNKWUIR-UHFFFAOYSA-N
MW335.49 g/mol
LogP4.68
Rot. Bonds5

About 7-methoxy-2-methyl-3-(3-phenylpropyl)-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole

7-methoxy-2-methyl-3-(3-phenylpropyl)-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole (PubChem CID 19793364) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is 7-methoxy-2-methyl-3-(3-phenylpropyl)-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole.

Molecular Properties

Compound Name7-methoxy-2-methyl-3-(3-phenylpropyl)-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole
PubChem CID19793364
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name7-methoxy-2-methyl-3-(3-phenylpropyl)-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole
SMILESCOc1ccc2c(c1)CCC1C2CN(C)C1CCCc1ccccc1
InChIInChI=1S/C23H29NO/c1-24-16-22-20-14-12-19(25-2)15-18(20)11-13-21(22)23(24)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,12,14-15,21-23H,6,9-11,13,16H2,1-2H3
InChIKeyLQLDDDODNKWUIR-UHFFFAOYSA-N
XLogP4.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-methoxy-2-methyl-3-(3-phenylpropyl)-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole with MolForge

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Related Compounds

(3R,9bR)-3-[(3-methoxyphenyl)methyl]-2-methyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole
CID 54223220
3-[(3-methoxyphenyl)methyl]-2-methyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole
CID 19793230
3-benzyl-7-bromo-2-methyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole;methanesulfonic acid
CID 19793197
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-4-phenylbutan-1-amine
CID 67936246
(1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10611903
3-benzyl-6,7-dimethoxy-2-methyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole;hydrochloride
CID 19793338
(3aS,9bS)-7-methoxy-2-methyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole
CID 141001034
N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine
CID 15029798
(3S)-3-(3-methoxyphenyl)-1-(3-phenylpropyl)piperidine
CID 54564163
7-methoxy-3-[(3-methoxyphenyl)methyl]-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]isoindole
CID 19793325
7-methoxy-1-(3-phenylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 106778860
[2-[1-(1,3-dioxolan-2-yl)-4-phenylbutyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
CID 57236398

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-3-(3-phenylpropyl)-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole?
The IUPAC name of 7-methoxy-2-methyl-3-(3-phenylpropyl)-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole (CID 19793364) is 7-methoxy-2-methyl-3-(3-phenylpropyl)-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole.
What is the SMILES notation for 7-methoxy-2-methyl-3-(3-phenylpropyl)-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole?
The canonical SMILES for 7-methoxy-2-methyl-3-(3-phenylpropyl)-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole is COc1ccc2c(c1)CCC1C2CN(C)C1CCCc1ccccc1.
What is the InChIKey of 7-methoxy-2-methyl-3-(3-phenylpropyl)-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole?
The InChIKey is LQLDDDODNKWUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO/c1-24-16-22-20-14-12-19(25-2)15-18(20)11-13-21(22)23(24)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,12,14-15,21-23H,6,9-11,13,16H2,1-2H3.
What are the key properties of 7-methoxy-2-methyl-3-(3-phenylpropyl)-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole?
7-methoxy-2-methyl-3-(3-phenylpropyl)-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole has a molecular weight of 335.49 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-3-(3-phenylpropyl)-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole is sourced from PubChem (CID 19793364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).