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

C15H20BrN — CID 68930732

IUPAC(2R)-1-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine
SMILESC[C@@H]1CCCN1[C@@H]1CCc2cc(Br)ccc2C1
InChIInChI=1S/C15H20BrN/c1-11-3-2-8-17(11)15-7-5-12-9-14(16)6-4-13(12)10-15/h4,6,9,11,15H,2-3,5,7-8,10H2,1H3/t11-,15-/m1/s1
InChIKeyLTNYAOGNSQCGDM-IAQYHMDHSA-N
MW294.24 g/mol
LogP3.79
Rot. Bonds1

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

(2R)-1-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine (PubChem CID 68930732) has the molecular formula C15H20BrN and a molecular weight of 294.24 g/mol. Its IUPAC name is (2R)-1-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine.

Molecular Properties

Compound Name(2R)-1-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine
PubChem CID68930732
Molecular FormulaC15H20BrN
Molecular Weight294.24 g/mol
Exact Mass293.08
IUPAC Name(2R)-1-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine
SMILESC[C@@H]1CCCN1[C@@H]1CCc2cc(Br)ccc2C1
InChIInChI=1S/C15H20BrN/c1-11-3-2-8-17(11)15-7-5-12-9-14(16)6-4-13(12)10-15/h4,6,9,11,15H,2-3,5,7-8,10H2,1H3/t11-,15-/m1/s1
InChIKeyLTNYAOGNSQCGDM-IAQYHMDHSA-N
XLogP3.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine?
The IUPAC name of (2R)-1-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine (CID 68930732) is (2R)-1-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine.
What is the SMILES notation for (2R)-1-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine?
The canonical SMILES for (2R)-1-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine is C[C@@H]1CCCN1[C@@H]1CCc2cc(Br)ccc2C1.
What is the InChIKey of (2R)-1-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine?
The InChIKey is LTNYAOGNSQCGDM-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H20BrN/c1-11-3-2-8-17(11)15-7-5-12-9-14(16)6-4-13(12)10-15/h4,6,9,11,15H,2-3,5,7-8,10H2,1H3/t11-,15-/m1/s1.
What are the key properties of (2R)-1-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine?
(2R)-1-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine has a molecular weight of 294.24 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine is sourced from PubChem (CID 68930732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).