3-(6-methoxy-4,4a,5,6-tetrahydronaphthalen-2-yl)-1-methylpyrrolidine

C16H23NO — CID 57060441

IUPAC3-(6-methoxy-4,4a,5,6-tetrahydronaphthalen-2-yl)-1-methylpyrrolidine
SMILESCOC1C=CC2=CC(C3CCN(C)C3)=CCC2C1
InChIInChI=1S/C16H23NO/c1-17-8-7-15(11-17)13-3-4-14-10-16(18-2)6-5-12(14)9-13/h3,5-6,9,14-16H,4,7-8,10-11H2,1-2H3
InChIKeyPJDHACJELCLHBA-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.79
Rot. Bonds2

About 3-(6-methoxy-4,4a,5,6-tetrahydronaphthalen-2-yl)-1-methylpyrrolidine

3-(6-methoxy-4,4a,5,6-tetrahydronaphthalen-2-yl)-1-methylpyrrolidine (PubChem CID 57060441) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-(6-methoxy-4,4a,5,6-tetrahydronaphthalen-2-yl)-1-methylpyrrolidine.

Molecular Properties

Compound Name3-(6-methoxy-4,4a,5,6-tetrahydronaphthalen-2-yl)-1-methylpyrrolidine
PubChem CID57060441
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3-(6-methoxy-4,4a,5,6-tetrahydronaphthalen-2-yl)-1-methylpyrrolidine
SMILESCOC1C=CC2=CC(C3CCN(C)C3)=CCC2C1
InChIInChI=1S/C16H23NO/c1-17-8-7-15(11-17)13-3-4-14-10-16(18-2)6-5-12(14)9-13/h3,5-6,9,14-16H,4,7-8,10-11H2,1-2H3
InChIKeyPJDHACJELCLHBA-UHFFFAOYSA-N
XLogP2.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

12-Methyl-2-oxa-12-azatricyclo[13.4.0.04,9]nonadeca-1(15),3,5,7,18-pentaene
CID 56636282
1-[3-(4-Methoxycyclohexa-2,4-dien-1-yl)propyl]pyrrolidine
CID 129295731
1-[3-(2,3,7,7a-Tetrahydro-1-benzofuran-5-yl)-2-methylpropyl]pyrrolidine
CID 135225724
4-(4-butoxy-5-methylcyclohexa-1,5-dien-1-yl)-1-methyl-2-[(E)-pent-3-enyl]pyrrolidine
CID 141876511
1-[3-(3,4,6,7-tetrahydro-2H-chromen-7-yl)propyl]pyrrolidine
CID 148939475
(3Z)-12-methyl-2-oxa-12-azatricyclo[13.4.0.04,9]nonadeca-1(15),3,5,7,18-pentaene
CID 20509356

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-4,4a,5,6-tetrahydronaphthalen-2-yl)-1-methylpyrrolidine?
The IUPAC name of 3-(6-methoxy-4,4a,5,6-tetrahydronaphthalen-2-yl)-1-methylpyrrolidine (CID 57060441) is 3-(6-methoxy-4,4a,5,6-tetrahydronaphthalen-2-yl)-1-methylpyrrolidine.
What is the SMILES notation for 3-(6-methoxy-4,4a,5,6-tetrahydronaphthalen-2-yl)-1-methylpyrrolidine?
The canonical SMILES for 3-(6-methoxy-4,4a,5,6-tetrahydronaphthalen-2-yl)-1-methylpyrrolidine is COC1C=CC2=CC(C3CCN(C)C3)=CCC2C1.
What is the InChIKey of 3-(6-methoxy-4,4a,5,6-tetrahydronaphthalen-2-yl)-1-methylpyrrolidine?
The InChIKey is PJDHACJELCLHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-17-8-7-15(11-17)13-3-4-14-10-16(18-2)6-5-12(14)9-13/h3,5-6,9,14-16H,4,7-8,10-11H2,1-2H3.
What are the key properties of 3-(6-methoxy-4,4a,5,6-tetrahydronaphthalen-2-yl)-1-methylpyrrolidine?
3-(6-methoxy-4,4a,5,6-tetrahydronaphthalen-2-yl)-1-methylpyrrolidine has a molecular weight of 245.37 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-4,4a,5,6-tetrahydronaphthalen-2-yl)-1-methylpyrrolidine is sourced from PubChem (CID 57060441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).