(2S)-2-[1,1-bis(4-ethylphenyl)ethyl]pyrrolidine

C22H29N — CID 59628636

IUPAC(2S)-2-[1,1-bis(4-ethylphenyl)ethyl]pyrrolidine
SMILESCCc1ccc(C(C)(c2ccc(CC)cc2)[C@@H]2CCCN2)cc1
InChIInChI=1S/C22H29N/c1-4-17-8-12-19(13-9-17)22(3,21-7-6-16-23-21)20-14-10-18(5-2)11-15-20/h8-15,21,23H,4-7,16H2,1-3H3/t21-/m0/s1
InChIKeyYHXFXTHNUNFMOJ-NRFANRHFSA-N
MW307.48 g/mol
LogP4.87
Rot. Bonds5

About (2S)-2-[1,1-bis(4-ethylphenyl)ethyl]pyrrolidine

(2S)-2-[1,1-bis(4-ethylphenyl)ethyl]pyrrolidine (PubChem CID 59628636) has the molecular formula C22H29N and a molecular weight of 307.48 g/mol. Its IUPAC name is (2S)-2-[1,1-bis(4-ethylphenyl)ethyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-[1,1-bis(4-ethylphenyl)ethyl]pyrrolidine
PubChem CID59628636
Molecular FormulaC22H29N
Molecular Weight307.48 g/mol
Exact Mass307.23
IUPAC Name(2S)-2-[1,1-bis(4-ethylphenyl)ethyl]pyrrolidine
SMILESCCc1ccc(C(C)(c2ccc(CC)cc2)[C@@H]2CCCN2)cc1
InChIInChI=1S/C22H29N/c1-4-17-8-12-19(13-9-17)22(3,21-7-6-16-23-21)20-14-10-18(5-2)11-15-20/h8-15,21,23H,4-7,16H2,1-3H3/t21-/m0/s1
InChIKeyYHXFXTHNUNFMOJ-NRFANRHFSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1,1-bis(4-ethylphenyl)ethyl]pyrrolidine?
The IUPAC name of (2S)-2-[1,1-bis(4-ethylphenyl)ethyl]pyrrolidine (CID 59628636) is (2S)-2-[1,1-bis(4-ethylphenyl)ethyl]pyrrolidine.
What is the SMILES notation for (2S)-2-[1,1-bis(4-ethylphenyl)ethyl]pyrrolidine?
The canonical SMILES for (2S)-2-[1,1-bis(4-ethylphenyl)ethyl]pyrrolidine is CCc1ccc(C(C)(c2ccc(CC)cc2)[C@@H]2CCCN2)cc1.
What is the InChIKey of (2S)-2-[1,1-bis(4-ethylphenyl)ethyl]pyrrolidine?
The InChIKey is YHXFXTHNUNFMOJ-NRFANRHFSA-N. The full InChI is InChI=1S/C22H29N/c1-4-17-8-12-19(13-9-17)22(3,21-7-6-16-23-21)20-14-10-18(5-2)11-15-20/h8-15,21,23H,4-7,16H2,1-3H3/t21-/m0/s1.
What are the key properties of (2S)-2-[1,1-bis(4-ethylphenyl)ethyl]pyrrolidine?
(2S)-2-[1,1-bis(4-ethylphenyl)ethyl]pyrrolidine has a molecular weight of 307.48 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1,1-bis(4-ethylphenyl)ethyl]pyrrolidine is sourced from PubChem (CID 59628636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).