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

C23H29NO2 — CID 10831777

IUPAC2-(1,3-dihydro-2-benzofuran-5-yl)-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine
SMILESCOc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2c(c1)COC2
InChIInChI=1S/C23H29NO2/c1-24(12-11-17-9-10-19-15-26-16-20(19)13-17)14-18-5-3-7-22-21(18)6-4-8-23(22)25-2/h4,6,8-10,13,18H,3,5,7,11-12,14-16H2,1-2H3/t18-/m0/s1
InChIKeyAEYXBENLNPAYSV-SFHVURJKSA-N
MW351.49 g/mol
LogP4.32
Rot. Bonds6

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

2-(1,3-dihydro-2-benzofuran-5-yl)-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine (PubChem CID 10831777) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-(1,3-dihydro-2-benzofuran-5-yl)-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine.

Molecular Properties

Compound Name2-(1,3-dihydro-2-benzofuran-5-yl)-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine
PubChem CID10831777
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name2-(1,3-dihydro-2-benzofuran-5-yl)-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine
SMILESCOc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2c(c1)COC2
InChIInChI=1S/C23H29NO2/c1-24(12-11-17-9-10-19-15-26-16-20(19)13-17)14-18-5-3-7-22-21(18)6-4-8-23(22)25-2/h4,6,8-10,13,18H,3,5,7,11-12,14-16H2,1-2H3/t18-/m0/s1
InChIKeyAEYXBENLNPAYSV-SFHVURJKSA-N
XLogP4.32
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydro-2-benzofuran-5-yl)-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine?
The IUPAC name of 2-(1,3-dihydro-2-benzofuran-5-yl)-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine (CID 10831777) is 2-(1,3-dihydro-2-benzofuran-5-yl)-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine.
What is the SMILES notation for 2-(1,3-dihydro-2-benzofuran-5-yl)-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine?
The canonical SMILES for 2-(1,3-dihydro-2-benzofuran-5-yl)-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine is COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2c(c1)COC2.
What is the InChIKey of 2-(1,3-dihydro-2-benzofuran-5-yl)-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine?
The InChIKey is AEYXBENLNPAYSV-SFHVURJKSA-N. The full InChI is InChI=1S/C23H29NO2/c1-24(12-11-17-9-10-19-15-26-16-20(19)13-17)14-18-5-3-7-22-21(18)6-4-8-23(22)25-2/h4,6,8-10,13,18H,3,5,7,11-12,14-16H2,1-2H3/t18-/m0/s1.
What are the key properties of 2-(1,3-dihydro-2-benzofuran-5-yl)-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine?
2-(1,3-dihydro-2-benzofuran-5-yl)-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine has a molecular weight of 351.49 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydro-2-benzofuran-5-yl)-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine is sourced from PubChem (CID 10831777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).