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

C24H31NOS — CID 19098568

IUPAC2-(3,4-dihydro-2H-thiochromen-7-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
SMILESCOc1cccc2c1CCCC2CN(C)CCc1ccc2c(c1)SCCC2
InChIInChI=1S/C24H31NOS/c1-25(14-13-18-11-12-19-7-5-15-27-24(19)16-18)17-20-6-3-9-22-21(20)8-4-10-23(22)26-2/h4,8,10-12,16,20H,3,5-7,9,13-15,17H2,1-2H3
InChIKeySYSLOYBZVRGJHZ-UHFFFAOYSA-N
MW381.59 g/mol
LogP5.33
Rot. Bonds6

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

2-(3,4-dihydro-2H-thiochromen-7-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine (PubChem CID 19098568) has the molecular formula C24H31NOS and a molecular weight of 381.59 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-thiochromen-7-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-thiochromen-7-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
PubChem CID19098568
Molecular FormulaC24H31NOS
Molecular Weight381.59 g/mol
Exact Mass381.21
IUPAC Name2-(3,4-dihydro-2H-thiochromen-7-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
SMILESCOc1cccc2c1CCCC2CN(C)CCc1ccc2c(c1)SCCC2
InChIInChI=1S/C24H31NOS/c1-25(14-13-18-11-12-19-7-5-15-27-24(19)16-18)17-20-6-3-9-22-21(20)8-4-10-23(22)26-2/h4,8,10-12,16,20H,3,5-7,9,13-15,17H2,1-2H3
InChIKeySYSLOYBZVRGJHZ-UHFFFAOYSA-N
XLogP5.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.59
LogP ≤ 55.33
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-2H-thiochromen-7-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine?
The IUPAC name of 2-(3,4-dihydro-2H-thiochromen-7-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine (CID 19098568) is 2-(3,4-dihydro-2H-thiochromen-7-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine.
What is the SMILES notation for 2-(3,4-dihydro-2H-thiochromen-7-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine?
The canonical SMILES for 2-(3,4-dihydro-2H-thiochromen-7-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine is COc1cccc2c1CCCC2CN(C)CCc1ccc2c(c1)SCCC2.
What is the InChIKey of 2-(3,4-dihydro-2H-thiochromen-7-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine?
The InChIKey is SYSLOYBZVRGJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NOS/c1-25(14-13-18-11-12-19-7-5-15-27-24(19)16-18)17-20-6-3-9-22-21(20)8-4-10-23(22)26-2/h4,8,10-12,16,20H,3,5-7,9,13-15,17H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-2H-thiochromen-7-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine?
2-(3,4-dihydro-2H-thiochromen-7-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine has a molecular weight of 381.59 g/mol, XLogP of 5.33, 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-2H-thiochromen-7-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine is sourced from PubChem (CID 19098568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).