(2S)-2-(3-bromophenyl)-1-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine

C19H22BrN — CID 58111855

IUPAC(2S)-2-(3-bromophenyl)-1-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine
SMILESCc1ccc([C@@H](C)N2CCC[C@H]2c2cccc(Br)c2)cc1
InChIInChI=1S/C19H22BrN/c1-14-8-10-16(11-9-14)15(2)21-12-4-7-19(21)17-5-3-6-18(20)13-17/h3,5-6,8-11,13,15,19H,4,7,12H2,1-2H3/t15-,19+/m1/s1
InChIKeyYTQMIFVYMYZKSB-BEFAXECRSA-N
MW344.30 g/mol
LogP5.66
Rot. Bonds3

About (2S)-2-(3-bromophenyl)-1-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine

(2S)-2-(3-bromophenyl)-1-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine (PubChem CID 58111855) has the molecular formula C19H22BrN and a molecular weight of 344.30 g/mol. Its IUPAC name is (2S)-2-(3-bromophenyl)-1-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(3-bromophenyl)-1-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine
PubChem CID58111855
Molecular FormulaC19H22BrN
Molecular Weight344.30 g/mol
Exact Mass343.09
IUPAC Name(2S)-2-(3-bromophenyl)-1-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine
SMILESCc1ccc([C@@H](C)N2CCC[C@H]2c2cccc(Br)c2)cc1
InChIInChI=1S/C19H22BrN/c1-14-8-10-16(11-9-14)15(2)21-12-4-7-19(21)17-5-3-6-18(20)13-17/h3,5-6,8-11,13,15,19H,4,7,12H2,1-2H3/t15-,19+/m1/s1
InChIKeyYTQMIFVYMYZKSB-BEFAXECRSA-N
XLogP5.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.30
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-bromophenyl)-1-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine?
The IUPAC name of (2S)-2-(3-bromophenyl)-1-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine (CID 58111855) is (2S)-2-(3-bromophenyl)-1-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine.
What is the SMILES notation for (2S)-2-(3-bromophenyl)-1-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine?
The canonical SMILES for (2S)-2-(3-bromophenyl)-1-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine is Cc1ccc([C@@H](C)N2CCC[C@H]2c2cccc(Br)c2)cc1.
What is the InChIKey of (2S)-2-(3-bromophenyl)-1-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine?
The InChIKey is YTQMIFVYMYZKSB-BEFAXECRSA-N. The full InChI is InChI=1S/C19H22BrN/c1-14-8-10-16(11-9-14)15(2)21-12-4-7-19(21)17-5-3-6-18(20)13-17/h3,5-6,8-11,13,15,19H,4,7,12H2,1-2H3/t15-,19+/m1/s1.
What are the key properties of (2S)-2-(3-bromophenyl)-1-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine?
(2S)-2-(3-bromophenyl)-1-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine has a molecular weight of 344.30 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-bromophenyl)-1-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine is sourced from PubChem (CID 58111855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).