N-[(5,6-dimethoxy-8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-(3-fluorophenyl)-N-methylethanamine

C23H30FNO2 — CID 15029831

IUPACN-[(5,6-dimethoxy-8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-(3-fluorophenyl)-N-methylethanamine
SMILESCOc1cc(C)c2c(c1OC)CCCC2CN(C)CCc1cccc(F)c1
InChIInChI=1S/C23H30FNO2/c1-16-13-21(26-3)23(27-4)20-10-6-8-18(22(16)20)15-25(2)12-11-17-7-5-9-19(24)14-17/h5,7,9,13-14,18H,6,8,10-12,15H2,1-4H3
InChIKeyQRBBYRJOTUHAGP-UHFFFAOYSA-N
MW371.50 g/mol
LogP4.75
Rot. Bonds7

About N-[(5,6-dimethoxy-8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-(3-fluorophenyl)-N-methylethanamine

N-[(5,6-dimethoxy-8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-(3-fluorophenyl)-N-methylethanamine (PubChem CID 15029831) has the molecular formula C23H30FNO2 and a molecular weight of 371.50 g/mol. Its IUPAC name is N-[(5,6-dimethoxy-8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-(3-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound NameN-[(5,6-dimethoxy-8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-(3-fluorophenyl)-N-methylethanamine
PubChem CID15029831
Molecular FormulaC23H30FNO2
Molecular Weight371.50 g/mol
Exact Mass371.23
IUPAC NameN-[(5,6-dimethoxy-8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-(3-fluorophenyl)-N-methylethanamine
SMILESCOc1cc(C)c2c(c1OC)CCCC2CN(C)CCc1cccc(F)c1
InChIInChI=1S/C23H30FNO2/c1-16-13-21(26-3)23(27-4)20-10-6-8-18(22(16)20)15-25(2)12-11-17-7-5-9-19(24)14-17/h5,7,9,13-14,18H,6,8,10-12,15H2,1-4H3
InChIKeyQRBBYRJOTUHAGP-UHFFFAOYSA-N
XLogP4.75
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(5,6-dimethoxy-8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-(3-fluorophenyl)-N-methylethanamine with MolForge

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Related Compounds

2-isoquinolin-7-yl-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
CID 19098384
4-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclohexan-1-one
CID 115240285
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-(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-1H-isochromen-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
CID 19098393
6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]chromen-4-one
CID 19098566
6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-2H-isoquinolin-1-one
CID 19098446
N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine
CID 15029798
7-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-1,3-benzothiazin-4-one
CID 19098525
2-(1H-indazol-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
CID 67699375
2-(1,3-benzoxazol-5-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
CID 19098357
3-[2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]phenol
CID 15029870

Frequently Asked Questions

What is the IUPAC name of N-[(5,6-dimethoxy-8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-(3-fluorophenyl)-N-methylethanamine?
The IUPAC name of N-[(5,6-dimethoxy-8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-(3-fluorophenyl)-N-methylethanamine (CID 15029831) is N-[(5,6-dimethoxy-8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-(3-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for N-[(5,6-dimethoxy-8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-(3-fluorophenyl)-N-methylethanamine?
The canonical SMILES for N-[(5,6-dimethoxy-8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-(3-fluorophenyl)-N-methylethanamine is COc1cc(C)c2c(c1OC)CCCC2CN(C)CCc1cccc(F)c1.
What is the InChIKey of N-[(5,6-dimethoxy-8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-(3-fluorophenyl)-N-methylethanamine?
The InChIKey is QRBBYRJOTUHAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FNO2/c1-16-13-21(26-3)23(27-4)20-10-6-8-18(22(16)20)15-25(2)12-11-17-7-5-9-19(24)14-17/h5,7,9,13-14,18H,6,8,10-12,15H2,1-4H3.
What are the key properties of N-[(5,6-dimethoxy-8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-(3-fluorophenyl)-N-methylethanamine?
N-[(5,6-dimethoxy-8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-(3-fluorophenyl)-N-methylethanamine has a molecular weight of 371.50 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,6-dimethoxy-8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-(3-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 15029831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).