1-[6-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine

C21H23Cl2N — CID 68926802

IUPAC1-[6-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine
SMILESCC1CCCN1C1CCc2cc(-c3c(Cl)cccc3Cl)ccc2C1
InChIInChI=1S/C21H23Cl2N/c1-14-4-3-11-24(14)18-10-9-15-12-17(8-7-16(15)13-18)21-19(22)5-2-6-20(21)23/h2,5-8,12,14,18H,3-4,9-11,13H2,1H3
InChIKeyAUTCQWNSRSNSOD-UHFFFAOYSA-N
MW360.33 g/mol
LogP6.00
Rot. Bonds2

About 1-[6-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine

1-[6-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine (PubChem CID 68926802) has the molecular formula C21H23Cl2N and a molecular weight of 360.33 g/mol. Its IUPAC name is 1-[6-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine.

Molecular Properties

Compound Name1-[6-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine
PubChem CID68926802
Molecular FormulaC21H23Cl2N
Molecular Weight360.33 g/mol
Exact Mass359.12
IUPAC Name1-[6-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine
SMILESCC1CCCN1C1CCc2cc(-c3c(Cl)cccc3Cl)ccc2C1
InChIInChI=1S/C21H23Cl2N/c1-14-4-3-11-24(14)18-10-9-15-12-17(8-7-16(15)13-18)21-19(22)5-2-6-20(21)23/h2,5-8,12,14,18H,3-4,9-11,13H2,1H3
InChIKeyAUTCQWNSRSNSOD-UHFFFAOYSA-N
XLogP6.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.33
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine?
The IUPAC name of 1-[6-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine (CID 68926802) is 1-[6-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine.
What is the SMILES notation for 1-[6-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine?
The canonical SMILES for 1-[6-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine is CC1CCCN1C1CCc2cc(-c3c(Cl)cccc3Cl)ccc2C1.
What is the InChIKey of 1-[6-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine?
The InChIKey is AUTCQWNSRSNSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N/c1-14-4-3-11-24(14)18-10-9-15-12-17(8-7-16(15)13-18)21-19(22)5-2-6-20(21)23/h2,5-8,12,14,18H,3-4,9-11,13H2,1H3.
What are the key properties of 1-[6-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine?
1-[6-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine has a molecular weight of 360.33 g/mol, XLogP of 6.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine is sourced from PubChem (CID 68926802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).