2-(1-benzofuran-7-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine

C23H27NO2 — CID 67699112

IUPAC2-(1-benzofuran-7-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
SMILESCOc1cccc2c1CCCC2CN(C)CCc1cccc2ccoc12
InChIInChI=1S/C23H27NO2/c1-24(14-12-17-6-3-7-18-13-15-26-23(17)18)16-19-8-4-10-21-20(19)9-5-11-22(21)25-2/h3,5-7,9,11,13,15,19H,4,8,10,12,14,16H2,1-2H3
InChIKeyKCZZXTYUQGZEHP-UHFFFAOYSA-N
MW349.47 g/mol
LogP5.04
Rot. Bonds6

About 2-(1-benzofuran-7-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine

2-(1-benzofuran-7-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine (PubChem CID 67699112) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is 2-(1-benzofuran-7-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name2-(1-benzofuran-7-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
PubChem CID67699112
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name2-(1-benzofuran-7-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
SMILESCOc1cccc2c1CCCC2CN(C)CCc1cccc2ccoc12
InChIInChI=1S/C23H27NO2/c1-24(14-12-17-6-3-7-18-13-15-26-23(17)18)16-19-8-4-10-21-20(19)9-5-11-22(21)25-2/h3,5-7,9,11,13,15,19H,4,8,10,12,14,16H2,1-2H3
InChIKeyKCZZXTYUQGZEHP-UHFFFAOYSA-N
XLogP5.04
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.47
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-benzofuran-7-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine 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 2-(1-benzofuran-7-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine?
The IUPAC name of 2-(1-benzofuran-7-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine (CID 67699112) is 2-(1-benzofuran-7-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine.
What is the SMILES notation for 2-(1-benzofuran-7-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine?
The canonical SMILES for 2-(1-benzofuran-7-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine is COc1cccc2c1CCCC2CN(C)CCc1cccc2ccoc12.
What is the InChIKey of 2-(1-benzofuran-7-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine?
The InChIKey is KCZZXTYUQGZEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-24(14-12-17-6-3-7-18-13-15-26-23(17)18)16-19-8-4-10-21-20(19)9-5-11-22(21)25-2/h3,5-7,9,11,13,15,19H,4,8,10,12,14,16H2,1-2H3.
What are the key properties of 2-(1-benzofuran-7-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine?
2-(1-benzofuran-7-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine has a molecular weight of 349.47 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-7-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine is sourced from PubChem (CID 67699112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).