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

C21H24ClN — CID 68929304

IUPAC1-[6-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine
SMILESCC1CCCN1C1CCc2cc(-c3ccc(Cl)cc3)ccc2C1
InChIInChI=1S/C21H24ClN/c1-15-3-2-12-23(15)21-11-8-18-13-17(4-5-19(18)14-21)16-6-9-20(22)10-7-16/h4-7,9-10,13,15,21H,2-3,8,11-12,14H2,1H3
InChIKeyUHYNUTPVWHCYFD-UHFFFAOYSA-N
MW325.88 g/mol
LogP5.35
Rot. Bonds2

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

1-[6-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine (PubChem CID 68929304) has the molecular formula C21H24ClN and a molecular weight of 325.88 g/mol. Its IUPAC name is 1-[6-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine.

Molecular Properties

Compound Name1-[6-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine
PubChem CID68929304
Molecular FormulaC21H24ClN
Molecular Weight325.88 g/mol
Exact Mass325.16
IUPAC Name1-[6-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine
SMILESCC1CCCN1C1CCc2cc(-c3ccc(Cl)cc3)ccc2C1
InChIInChI=1S/C21H24ClN/c1-15-3-2-12-23(15)21-11-8-18-13-17(4-5-19(18)14-21)16-6-9-20(22)10-7-16/h4-7,9-10,13,15,21H,2-3,8,11-12,14H2,1H3
InChIKeyUHYNUTPVWHCYFD-UHFFFAOYSA-N
XLogP5.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.88
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine?
The IUPAC name of 1-[6-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine (CID 68929304) is 1-[6-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine.
What is the SMILES notation for 1-[6-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine?
The canonical SMILES for 1-[6-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine is CC1CCCN1C1CCc2cc(-c3ccc(Cl)cc3)ccc2C1.
What is the InChIKey of 1-[6-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine?
The InChIKey is UHYNUTPVWHCYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN/c1-15-3-2-12-23(15)21-11-8-18-13-17(4-5-19(18)14-21)16-6-9-20(22)10-7-16/h4-7,9-10,13,15,21H,2-3,8,11-12,14H2,1H3.
What are the key properties of 1-[6-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine?
1-[6-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine has a molecular weight of 325.88 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine is sourced from PubChem (CID 68929304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).