1-[(4-chlorophenyl)methyl]-4-ethyl-2-phenylpyrrolidine

C19H22ClN — CID 173455134

IUPAC1-[(4-chlorophenyl)methyl]-4-ethyl-2-phenylpyrrolidine
SMILESCCC1CC(c2ccccc2)N(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H22ClN/c1-2-15-12-19(17-6-4-3-5-7-17)21(13-15)14-16-8-10-18(20)11-9-16/h3-11,15,19H,2,12-14H2,1H3
InChIKeyFWRMGIGMIBGWHQ-UHFFFAOYSA-N
MW299.85 g/mol
LogP5.31
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-4-ethyl-2-phenylpyrrolidine

1-[(4-chlorophenyl)methyl]-4-ethyl-2-phenylpyrrolidine (PubChem CID 173455134) has the molecular formula C19H22ClN and a molecular weight of 299.85 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-ethyl-2-phenylpyrrolidine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-ethyl-2-phenylpyrrolidine
PubChem CID173455134
Molecular FormulaC19H22ClN
Molecular Weight299.85 g/mol
Exact Mass299.14
IUPAC Name1-[(4-chlorophenyl)methyl]-4-ethyl-2-phenylpyrrolidine
SMILESCCC1CC(c2ccccc2)N(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H22ClN/c1-2-15-12-19(17-6-4-3-5-7-17)21(13-15)14-16-8-10-18(20)11-9-16/h3-11,15,19H,2,12-14H2,1H3
InChIKeyFWRMGIGMIBGWHQ-UHFFFAOYSA-N
XLogP5.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.85
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-ethyl-2-phenylpyrrolidine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-ethyl-2-phenylpyrrolidine (CID 173455134) is 1-[(4-chlorophenyl)methyl]-4-ethyl-2-phenylpyrrolidine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-ethyl-2-phenylpyrrolidine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-ethyl-2-phenylpyrrolidine is CCC1CC(c2ccccc2)N(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-ethyl-2-phenylpyrrolidine?
The InChIKey is FWRMGIGMIBGWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN/c1-2-15-12-19(17-6-4-3-5-7-17)21(13-15)14-16-8-10-18(20)11-9-16/h3-11,15,19H,2,12-14H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-ethyl-2-phenylpyrrolidine?
1-[(4-chlorophenyl)methyl]-4-ethyl-2-phenylpyrrolidine has a molecular weight of 299.85 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-ethyl-2-phenylpyrrolidine is sourced from PubChem (CID 173455134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).