(2S,3S,4S)-1-ethyl-2-methyl-3,4-diphenylpyrrolidine

C19H23N — CID 134924303

IUPAC(2S,3S,4S)-1-ethyl-2-methyl-3,4-diphenylpyrrolidine
SMILESCCN1C[C@H](c2ccccc2)[C@@H](c2ccccc2)[C@@H]1C
InChIInChI=1S/C19H23N/c1-3-20-14-18(16-10-6-4-7-11-16)19(15(20)2)17-12-8-5-9-13-17/h4-13,15,18-19H,3,14H2,1-2H3/t15-,18+,19+/m0/s1
InChIKeyQVFWRVAVJLYVDS-KFKAGJAMSA-N
MW265.40 g/mol
LogP4.28
Rot. Bonds3

About (2S,3S,4S)-1-ethyl-2-methyl-3,4-diphenylpyrrolidine

(2S,3S,4S)-1-ethyl-2-methyl-3,4-diphenylpyrrolidine (PubChem CID 134924303) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is (2S,3S,4S)-1-ethyl-2-methyl-3,4-diphenylpyrrolidine.

Molecular Properties

Compound Name(2S,3S,4S)-1-ethyl-2-methyl-3,4-diphenylpyrrolidine
PubChem CID134924303
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name(2S,3S,4S)-1-ethyl-2-methyl-3,4-diphenylpyrrolidine
SMILESCCN1C[C@H](c2ccccc2)[C@@H](c2ccccc2)[C@@H]1C
InChIInChI=1S/C19H23N/c1-3-20-14-18(16-10-6-4-7-11-16)19(15(20)2)17-12-8-5-9-13-17/h4-13,15,18-19H,3,14H2,1-2H3/t15-,18+,19+/m0/s1
InChIKeyQVFWRVAVJLYVDS-KFKAGJAMSA-N
XLogP4.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,3R)-1-ethyl-2,3-diphenylazetidine
CID 100941432
CID 53230801
CID 53230801
(1R,5S)-3-ethyl-6-phenyl-3-azabicyclo[3.1.0]hexane
CID 70451157
1-ethyl-3-methyl-4-phenylpyrrolidine
CID 130451678
1-ethyl-5-methyl-3,4-diphenylimidazolidine
CID 14143406
1-benzyl-3,5-dimethyl-4-phenylpiperidine
CID 141122584
ethane;1-ethyl-2-phenylpyrrolidine
CID 177062481
1-ethyl-2-phenyl-4-propan-2-ylpiperazine
CID 138492479
1-ethyl-4-methoxy-2-phenylpiperazine
CID 70136749
(2R,3R)-1-benzyl-2-(chloromethyl)-3-phenylazetidine
CID 101250941
1-ethyl-2-phenylazepane
CID 59678181
1-benzyl-3-methyl-4-phenylpyrrolidine
CID 3522572

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-1-ethyl-2-methyl-3,4-diphenylpyrrolidine?
The IUPAC name of (2S,3S,4S)-1-ethyl-2-methyl-3,4-diphenylpyrrolidine (CID 134924303) is (2S,3S,4S)-1-ethyl-2-methyl-3,4-diphenylpyrrolidine.
What is the SMILES notation for (2S,3S,4S)-1-ethyl-2-methyl-3,4-diphenylpyrrolidine?
The canonical SMILES for (2S,3S,4S)-1-ethyl-2-methyl-3,4-diphenylpyrrolidine is CCN1C[C@H](c2ccccc2)[C@@H](c2ccccc2)[C@@H]1C.
What is the InChIKey of (2S,3S,4S)-1-ethyl-2-methyl-3,4-diphenylpyrrolidine?
The InChIKey is QVFWRVAVJLYVDS-KFKAGJAMSA-N. The full InChI is InChI=1S/C19H23N/c1-3-20-14-18(16-10-6-4-7-11-16)19(15(20)2)17-12-8-5-9-13-17/h4-13,15,18-19H,3,14H2,1-2H3/t15-,18+,19+/m0/s1.
What are the key properties of (2S,3S,4S)-1-ethyl-2-methyl-3,4-diphenylpyrrolidine?
(2S,3S,4S)-1-ethyl-2-methyl-3,4-diphenylpyrrolidine has a molecular weight of 265.40 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-1-ethyl-2-methyl-3,4-diphenylpyrrolidine is sourced from PubChem (CID 134924303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).