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

C15H20BrN — CID 68987766

IUPAC1-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine
SMILESCC1CCCN1[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-JOPIAHFSSA-N
MW294.24 g/mol
LogP3.79
Rot. Bonds1

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

1-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine (PubChem CID 68987766) has the molecular formula C15H20BrN and a molecular weight of 294.24 g/mol. Its IUPAC name is 1-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine.

Molecular Properties

Compound Name1-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine
PubChem CID68987766
Molecular FormulaC15H20BrN
Molecular Weight294.24 g/mol
Exact Mass293.08
IUPAC Name1-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine
SMILESCC1CCCN1[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-JOPIAHFSSA-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 1-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine?
The IUPAC name of 1-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine (CID 68987766) is 1-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine.
What is the SMILES notation for 1-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine?
The canonical SMILES for 1-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine is CC1CCCN1[C@@H]1CCc2cc(Br)ccc2C1.
What is the InChIKey of 1-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine?
The InChIKey is LTNYAOGNSQCGDM-JOPIAHFSSA-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 1-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine?
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 1-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine is sourced from PubChem (CID 68987766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).