2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine

C23H30N2O2 — CID 139884804

IUPAC2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
SMILESCOc1cccc2c1CCCC2CN(C)CCc1ccc2c(c1)NCCO2
InChIInChI=1S/C23H30N2O2/c1-25(13-11-17-9-10-23-21(15-17)24-12-14-27-23)16-18-5-3-7-20-19(18)6-4-8-22(20)26-2/h4,6,8-10,15,18,24H,3,5,7,11-14,16H2,1-2H3
InChIKeyZYUZPDDBUWNLHW-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.09
Rot. Bonds6

About 2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine

2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine (PubChem CID 139884804) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
PubChem CID139884804
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
SMILESCOc1cccc2c1CCCC2CN(C)CCc1ccc2c(c1)NCCO2
InChIInChI=1S/C23H30N2O2/c1-25(13-11-17-9-10-23-21(15-17)24-12-14-27-23)16-18-5-3-7-20-19(18)6-4-8-22(20)26-2/h4,6,8-10,15,18,24H,3,5,7,11-14,16H2,1-2H3
InChIKeyZYUZPDDBUWNLHW-UHFFFAOYSA-N
XLogP4.09
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine with MolForge

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Related Compounds

6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-4H-1,4-benzoxazin-3-one
CID 19098466
2-(3,4-dihydro-1H-isochromen-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
CID 19098393
7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,4-dihydro-2,1-benzoxazin-3-one
CID 19098585
6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-3,4-dihydro-1,4-benzothiazin-2-one
CID 19098406
2-(1,3-benzoxazol-5-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
CID 19098357
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
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
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
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-(1H-indazol-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
CID 67699375
7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,4-benzoxathiin-3-one
CID 19098488

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine?
The IUPAC name of 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) is 2-(3,4-dihydro-2H-1,4-benzoxazin-6-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-1,4-benzoxazin-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine?
The canonical SMILES for 2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine is COc1cccc2c1CCCC2CN(C)CCc1ccc2c(c1)NCCO2.
What is the InChIKey of 2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine?
The InChIKey is ZYUZPDDBUWNLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-25(13-11-17-9-10-23-21(15-17)24-12-14-27-23)16-18-5-3-7-20-19(18)6-4-8-22(20)26-2/h4,6,8-10,15,18,24H,3,5,7,11-14,16H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine?
2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine has a molecular weight of 366.51 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine is sourced from PubChem (CID 139884804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).