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

C23H28N2O2 — CID 54244474

IUPACN-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine
SMILESCOc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2oc(C)nc2c1
InChIInChI=1S/C23H28N2O2/c1-16-24-21-14-17(10-11-23(21)27-16)12-13-25(2)15-18-6-4-8-20-19(18)7-5-9-22(20)26-3/h5,7,9-11,14,18H,4,6,8,12-13,15H2,1-3H3/t18-/m0/s1
InChIKeyQSGYLTCILHYIIG-SFHVURJKSA-N
MW364.49 g/mol
LogP4.74
Rot. Bonds6

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

N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine (PubChem CID 54244474) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine
PubChem CID54244474
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine
SMILESCOc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2oc(C)nc2c1
InChIInChI=1S/C23H28N2O2/c1-16-24-21-14-17(10-11-23(21)27-16)12-13-25(2)15-18-6-4-8-20-19(18)7-5-9-22(20)26-3/h5,7,9-11,14,18H,4,6,8,12-13,15H2,1-3H3/t18-/m0/s1
InChIKeyQSGYLTCILHYIIG-SFHVURJKSA-N
XLogP4.74
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-(1,3-benzoxazol-5-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
CID 19098357
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
2-(1H-indazol-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
CID 67699375
2-(3,4-dihydro-1H-isochromen-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
CID 19098393
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-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
CID 139884804
6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-2H-isoquinolin-1-one
CID 19098446
7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,3-benzothiazin-4-one
CID 19098525
7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,4-benzoxathiin-3-one
CID 19098488
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-dihydro-2,1-benzoxazin-3-one
CID 19098585

Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine?
The IUPAC name of 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) is N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine.
What is the SMILES notation for N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine?
The canonical SMILES for N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine is COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2oc(C)nc2c1.
What is the InChIKey of N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine?
The InChIKey is QSGYLTCILHYIIG-SFHVURJKSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-16-24-21-14-17(10-11-23(21)27-16)12-13-25(2)15-18-6-4-8-20-19(18)7-5-9-22(20)26-3/h5,7,9-11,14,18H,4,6,8,12-13,15H2,1-3H3/t18-/m0/s1.
What are the key properties of N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine?
N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine has a molecular weight of 364.49 g/mol, XLogP of 4.74, 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-(2-methyl-1,3-benzoxazol-5-yl)ethanamine is sourced from PubChem (CID 54244474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).