(2R)-1-(4-bromophenyl)-2-(2-cyclopropylphenyl)pyrrolidine

C19H20BrN — CID 150696992

IUPAC(2R)-1-(4-bromophenyl)-2-(2-cyclopropylphenyl)pyrrolidine
SMILESBrc1ccc(N2CCC[C@@H]2c2ccccc2C2CC2)cc1
InChIInChI=1S/C19H20BrN/c20-15-9-11-16(12-10-15)21-13-3-6-19(21)18-5-2-1-4-17(18)14-7-8-14/h1-2,4-5,9-12,14,19H,3,6-8,13H2/t19-/m1/s1
InChIKeyJLAYRAWCMUXORJ-LJQANCHMSA-N
MW342.28 g/mol
LogP5.67
Rot. Bonds3

About (2R)-1-(4-bromophenyl)-2-(2-cyclopropylphenyl)pyrrolidine

(2R)-1-(4-bromophenyl)-2-(2-cyclopropylphenyl)pyrrolidine (PubChem CID 150696992) has the molecular formula C19H20BrN and a molecular weight of 342.28 g/mol. Its IUPAC name is (2R)-1-(4-bromophenyl)-2-(2-cyclopropylphenyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-1-(4-bromophenyl)-2-(2-cyclopropylphenyl)pyrrolidine
PubChem CID150696992
Molecular FormulaC19H20BrN
Molecular Weight342.28 g/mol
Exact Mass341.08
IUPAC Name(2R)-1-(4-bromophenyl)-2-(2-cyclopropylphenyl)pyrrolidine
SMILESBrc1ccc(N2CCC[C@@H]2c2ccccc2C2CC2)cc1
InChIInChI=1S/C19H20BrN/c20-15-9-11-16(12-10-15)21-13-3-6-19(21)18-5-2-1-4-17(18)14-7-8-14/h1-2,4-5,9-12,14,19H,3,6-8,13H2/t19-/m1/s1
InChIKeyJLAYRAWCMUXORJ-LJQANCHMSA-N
XLogP5.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.28
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-bromophenyl)-2-(2-cyclopropylphenyl)pyrrolidine?
The IUPAC name of (2R)-1-(4-bromophenyl)-2-(2-cyclopropylphenyl)pyrrolidine (CID 150696992) is (2R)-1-(4-bromophenyl)-2-(2-cyclopropylphenyl)pyrrolidine.
What is the SMILES notation for (2R)-1-(4-bromophenyl)-2-(2-cyclopropylphenyl)pyrrolidine?
The canonical SMILES for (2R)-1-(4-bromophenyl)-2-(2-cyclopropylphenyl)pyrrolidine is Brc1ccc(N2CCC[C@@H]2c2ccccc2C2CC2)cc1.
What is the InChIKey of (2R)-1-(4-bromophenyl)-2-(2-cyclopropylphenyl)pyrrolidine?
The InChIKey is JLAYRAWCMUXORJ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H20BrN/c20-15-9-11-16(12-10-15)21-13-3-6-19(21)18-5-2-1-4-17(18)14-7-8-14/h1-2,4-5,9-12,14,19H,3,6-8,13H2/t19-/m1/s1.
What are the key properties of (2R)-1-(4-bromophenyl)-2-(2-cyclopropylphenyl)pyrrolidine?
(2R)-1-(4-bromophenyl)-2-(2-cyclopropylphenyl)pyrrolidine has a molecular weight of 342.28 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-bromophenyl)-2-(2-cyclopropylphenyl)pyrrolidine is sourced from PubChem (CID 150696992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).