2-(3,4-dihydro-1H-isochromen-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine

C24H31NO2 — CID 19098393

IUPAC2-(3,4-dihydro-1H-isochromen-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
SMILESCOc1cccc2c1CCCC2CN(C)CCc1ccc2c(c1)CCOC2
InChIInChI=1S/C24H31NO2/c1-25(13-11-18-9-10-21-17-27-14-12-19(21)15-18)16-20-5-3-7-23-22(20)6-4-8-24(23)26-2/h4,6,8-10,15,20H,3,5,7,11-14,16-17H2,1-2H3
InChIKeyHWAPANXRINLWAU-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.36
Rot. Bonds6

About 2-(3,4-dihydro-1H-isochromen-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine

2-(3,4-dihydro-1H-isochromen-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine (PubChem CID 19098393) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isochromen-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isochromen-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
PubChem CID19098393
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name2-(3,4-dihydro-1H-isochromen-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
SMILESCOc1cccc2c1CCCC2CN(C)CCc1ccc2c(c1)CCOC2
InChIInChI=1S/C24H31NO2/c1-25(13-11-18-9-10-21-17-27-14-12-19(21)15-18)16-20-5-3-7-23-22(20)6-4-8-24(23)26-2/h4,6,8-10,15,20H,3,5,7,11-14,16-17H2,1-2H3
InChIKeyHWAPANXRINLWAU-UHFFFAOYSA-N
XLogP4.36
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isochromen-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine?
The IUPAC name of 2-(3,4-dihydro-1H-isochromen-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine (CID 19098393) is 2-(3,4-dihydro-1H-isochromen-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine.
What is the SMILES notation for 2-(3,4-dihydro-1H-isochromen-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine?
The canonical SMILES for 2-(3,4-dihydro-1H-isochromen-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine is COc1cccc2c1CCCC2CN(C)CCc1ccc2c(c1)CCOC2.
What is the InChIKey of 2-(3,4-dihydro-1H-isochromen-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine?
The InChIKey is HWAPANXRINLWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2/c1-25(13-11-18-9-10-21-17-27-14-12-19(21)15-18)16-20-5-3-7-23-22(20)6-4-8-24(23)26-2/h4,6,8-10,15,20H,3,5,7,11-14,16-17H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-1H-isochromen-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine?
2-(3,4-dihydro-1H-isochromen-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine has a molecular weight of 365.52 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isochromen-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine is sourced from PubChem (CID 19098393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).