N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-quinoxalin-6-ylethanamine

C23H27N3O — CID 10546538

IUPACN-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-quinoxalin-6-ylethanamine
SMILESCOc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2nccnc2c1
InChIInChI=1S/C23H27N3O/c1-26(14-11-17-9-10-21-22(15-17)25-13-12-24-21)16-18-5-3-7-20-19(18)6-4-8-23(20)27-2/h4,6,8-10,12-13,15,18H,3,5,7,11,14,16H2,1-2H3/t18-/m0/s1
InChIKeyOEMXCGIPZRQFGM-SFHVURJKSA-N
MW361.49 g/mol
LogP4.23
Rot. Bonds6

About N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-quinoxalin-6-ylethanamine

N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-quinoxalin-6-ylethanamine (PubChem CID 10546538) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-quinoxalin-6-ylethanamine.

Molecular Properties

Compound NameN-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-quinoxalin-6-ylethanamine
PubChem CID10546538
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC NameN-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-quinoxalin-6-ylethanamine
SMILESCOc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2nccnc2c1
InChIInChI=1S/C23H27N3O/c1-26(14-11-17-9-10-21-22(15-17)25-13-12-24-21)16-18-5-3-7-20-19(18)6-4-8-23(20)27-2/h4,6,8-10,12-13,15,18H,3,5,7,11,14,16H2,1-2H3/t18-/m0/s1
InChIKeyOEMXCGIPZRQFGM-SFHVURJKSA-N
XLogP4.23
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-quinoxalin-6-ylethanamine?
The IUPAC name of N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-quinoxalin-6-ylethanamine (CID 10546538) is N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-quinoxalin-6-ylethanamine.
What is the SMILES notation for N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-quinoxalin-6-ylethanamine?
The canonical SMILES for N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-quinoxalin-6-ylethanamine is COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2nccnc2c1.
What is the InChIKey of N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-quinoxalin-6-ylethanamine?
The InChIKey is OEMXCGIPZRQFGM-SFHVURJKSA-N. The full InChI is InChI=1S/C23H27N3O/c1-26(14-11-17-9-10-21-22(15-17)25-13-12-24-21)16-18-5-3-7-20-19(18)6-4-8-23(20)27-2/h4,6,8-10,12-13,15,18H,3,5,7,11,14,16H2,1-2H3/t18-/m0/s1.
What are the key properties of N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-quinoxalin-6-ylethanamine?
N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-quinoxalin-6-ylethanamine has a molecular weight of 361.49 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 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-quinoxalin-6-ylethanamine is sourced from PubChem (CID 10546538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).