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

C24H28N2O — CID 10713569

IUPACN-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-quinolin-6-ylethanamine
SMILESCOc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ncccc2c1
InChIInChI=1S/C24H28N2O/c1-26(15-13-18-11-12-23-19(16-18)7-5-14-25-23)17-20-6-3-9-22-21(20)8-4-10-24(22)27-2/h4-5,7-8,10-12,14,16,20H,3,6,9,13,15,17H2,1-2H3/t20-/m0/s1
InChIKeyFRLJZMNQTHYBIN-FQEVSTJZSA-N
MW360.50 g/mol
LogP4.84
Rot. Bonds6

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

N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-quinolin-6-ylethanamine (PubChem CID 10713569) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-quinolin-6-ylethanamine.

Molecular Properties

Compound NameN-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-quinolin-6-ylethanamine
PubChem CID10713569
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC NameN-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-quinolin-6-ylethanamine
SMILESCOc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ncccc2c1
InChIInChI=1S/C24H28N2O/c1-26(15-13-18-11-12-23-19(16-18)7-5-14-25-23)17-20-6-3-9-22-21(20)8-4-10-24(22)27-2/h4-5,7-8,10-12,14,16,20H,3,6,9,13,15,17H2,1-2H3/t20-/m0/s1
InChIKeyFRLJZMNQTHYBIN-FQEVSTJZSA-N
XLogP4.84
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-quinolin-6-ylethanamine?
The IUPAC name of N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-quinolin-6-ylethanamine (CID 10713569) is N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-quinolin-6-ylethanamine.
What is the SMILES notation for N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-quinolin-6-ylethanamine?
The canonical SMILES for N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-quinolin-6-ylethanamine is COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ncccc2c1.
What is the InChIKey of N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-quinolin-6-ylethanamine?
The InChIKey is FRLJZMNQTHYBIN-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H28N2O/c1-26(15-13-18-11-12-23-19(16-18)7-5-14-25-23)17-20-6-3-9-22-21(20)8-4-10-24(22)27-2/h4-5,7-8,10-12,14,16,20H,3,6,9,13,15,17H2,1-2H3/t20-/m0/s1.
What are the key properties of N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-quinolin-6-ylethanamine?
N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-quinolin-6-ylethanamine has a molecular weight of 360.50 g/mol, XLogP of 4.84, 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-quinolin-6-ylethanamine is sourced from PubChem (CID 10713569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).