2-(2,3-dihydro-1H-isoindol-5-yl)-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine

C23H30N2O — CID 10617867

IUPAC2-(2,3-dihydro-1H-isoindol-5-yl)-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine
SMILESCOc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2c(c1)CNC2
InChIInChI=1S/C23H30N2O/c1-25(12-11-17-9-10-18-14-24-15-20(18)13-17)16-19-5-3-7-22-21(19)6-4-8-23(22)26-2/h4,6,8-10,13,19,24H,3,5,7,11-12,14-16H2,1-2H3/t19-/m0/s1
InChIKeyLPVORCAPZWIQEM-IBGZPJMESA-N
MW350.51 g/mol
LogP3.89
Rot. Bonds6

About 2-(2,3-dihydro-1H-isoindol-5-yl)-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine

2-(2,3-dihydro-1H-isoindol-5-yl)-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine (PubChem CID 10617867) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-isoindol-5-yl)-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-isoindol-5-yl)-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine
PubChem CID10617867
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name2-(2,3-dihydro-1H-isoindol-5-yl)-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine
SMILESCOc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2c(c1)CNC2
InChIInChI=1S/C23H30N2O/c1-25(12-11-17-9-10-18-14-24-15-20(18)13-17)16-19-5-3-7-22-21(19)6-4-8-23(22)26-2/h4,6,8-10,13,19,24H,3,5,7,11-12,14-16H2,1-2H3/t19-/m0/s1
InChIKeyLPVORCAPZWIQEM-IBGZPJMESA-N
XLogP3.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,3-dihydro-1H-isoindol-5-yl)-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine with MolForge

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Related Compounds

(3aR,9bS)-3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
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9-Methoxy-3-propyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
CID 10332127
N-[(4-methoxynaphthalen-1-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 27271164
(6S,10bR)-6-(3-methoxyphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
CID 13646472
3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
CID 44266664
(3aS,9bS)-3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
CID 44274740
(3aS,9bS)-9-Methoxy-3-propyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
CID 44275016
4-(4-Fluorophenyl)-1-(4-methoxy-2,5-dimethylbenzyl)-1,2,3,6-tetrahydropyridine
CID 782013
4-Methoxy-N-[(2-methoxyphenyl)methyl]-1-naphthalenemethanamine
CID 791864
N-[(2-methoxy-1-naphthyl)methyl]-2-phenylethanamine hydrochloride
CID 2838218
[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-phenethyl-amine
CID 10711065
1-Benzyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 10714699

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-isoindol-5-yl)-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine?
The IUPAC name of 2-(2,3-dihydro-1H-isoindol-5-yl)-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine (CID 10617867) is 2-(2,3-dihydro-1H-isoindol-5-yl)-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine.
What is the SMILES notation for 2-(2,3-dihydro-1H-isoindol-5-yl)-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine?
The canonical SMILES for 2-(2,3-dihydro-1H-isoindol-5-yl)-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine is COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2c(c1)CNC2.
What is the InChIKey of 2-(2,3-dihydro-1H-isoindol-5-yl)-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine?
The InChIKey is LPVORCAPZWIQEM-IBGZPJMESA-N. The full InChI is InChI=1S/C23H30N2O/c1-25(12-11-17-9-10-18-14-24-15-20(18)13-17)16-19-5-3-7-22-21(19)6-4-8-23(22)26-2/h4,6,8-10,13,19,24H,3,5,7,11-12,14-16H2,1-2H3/t19-/m0/s1.
What are the key properties of 2-(2,3-dihydro-1H-isoindol-5-yl)-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine?
2-(2,3-dihydro-1H-isoindol-5-yl)-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine has a molecular weight of 350.51 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-isoindol-5-yl)-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine is sourced from PubChem (CID 10617867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).