N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine

C24H31NO2 — CID 54110894

IUPACN-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
SMILESCOc1cccc2c1CCC[C@H]2CN(C)CCc1cc2c(cc1C)OCC2
InChIInChI=1S/C24H31NO2/c1-17-14-24-19(11-13-27-24)15-18(17)10-12-25(2)16-20-6-4-8-22-21(20)7-5-9-23(22)26-3/h5,7,9,14-15,20H,4,6,8,10-13,16H2,1-3H3/t20-/m0/s1
InChIKeyNGZXYPBAXBXXGY-FQEVSTJZSA-N
MW365.52 g/mol
LogP4.53
Rot. Bonds6

About N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine

N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine (PubChem CID 54110894) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine.

Molecular Properties

Compound NameN-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
PubChem CID54110894
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC NameN-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
SMILESCOc1cccc2c1CCC[C@H]2CN(C)CCc1cc2c(cc1C)OCC2
InChIInChI=1S/C24H31NO2/c1-17-14-24-19(11-13-27-24)15-18(17)10-12-25(2)16-20-6-4-8-22-21(20)7-5-9-23(22)26-3/h5,7,9,14-15,20H,4,6,8,10-13,16H2,1-3H3/t20-/m0/s1
InChIKeyNGZXYPBAXBXXGY-FQEVSTJZSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine with MolForge

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Related Compounds

N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 19098557
2-(3,4-dihydro-1H-isochromen-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
CID 19098393
2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
CID 139884804
2-(1-benzofuran-7-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
CID 67699112
N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine
CID 54244474
2-(1,3-benzoxazol-5-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
CID 19098357
7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-3H-quinolin-4-one
CID 19098429
7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,4-benzoxathiin-3-one
CID 19098488
6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-4H-1,4-benzoxazin-3-one
CID 19098466
2-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine;methanesulfonic acid
CID 19098496
2-isoquinolin-7-yl-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
CID 19098384
6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]chromen-4-one
CID 19098566

Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The IUPAC name of N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine (CID 54110894) is N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine.
What is the SMILES notation for N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The canonical SMILES for N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine is COc1cccc2c1CCC[C@H]2CN(C)CCc1cc2c(cc1C)OCC2.
What is the InChIKey of N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The InChIKey is NGZXYPBAXBXXGY-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H31NO2/c1-17-14-24-19(11-13-27-24)15-18(17)10-12-25(2)16-20-6-4-8-22-21(20)7-5-9-23(22)26-3/h5,7,9,14-15,20H,4,6,8,10-13,16H2,1-3H3/t20-/m0/s1.
What are the key properties of N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine has a molecular weight of 365.52 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine is sourced from PubChem (CID 54110894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).