1-[3-(4-chlorophenyl)-4-phenylbutyl]pyrrolidine

C20H24ClN — CID 4887421

IUPAC1-[3-(4-chlorophenyl)-4-phenylbutyl]pyrrolidine
SMILESClc1ccc(C(CCN2CCCC2)Cc2ccccc2)cc1
InChIInChI=1S/C20H24ClN/c21-20-10-8-18(9-11-20)19(12-15-22-13-4-5-14-22)16-17-6-2-1-3-7-17/h1-3,6-11,19H,4-5,12-16H2
InChIKeyCVFDUSPRRDVDAK-UHFFFAOYSA-N
MW313.87 g/mol
LogP5.15
Rot. Bonds6

About 1-[3-(4-chlorophenyl)-4-phenylbutyl]pyrrolidine

1-[3-(4-chlorophenyl)-4-phenylbutyl]pyrrolidine (PubChem CID 4887421) has the molecular formula C20H24ClN and a molecular weight of 313.87 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-4-phenylbutyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-4-phenylbutyl]pyrrolidine
PubChem CID4887421
Molecular FormulaC20H24ClN
Molecular Weight313.87 g/mol
Exact Mass313.16
IUPAC Name1-[3-(4-chlorophenyl)-4-phenylbutyl]pyrrolidine
SMILESClc1ccc(C(CCN2CCCC2)Cc2ccccc2)cc1
InChIInChI=1S/C20H24ClN/c21-20-10-8-18(9-11-20)19(12-15-22-13-4-5-14-22)16-17-6-2-1-3-7-17/h1-3,6-11,19H,4-5,12-16H2
InChIKeyCVFDUSPRRDVDAK-UHFFFAOYSA-N
XLogP5.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.87
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2E)-4-(4-chlorophenyl)-3-phenylbut-2-en-1-yl]pyrrolidine
CID 5284614
Pyrrobutamine
CID 8669
Clofilium
CID 2798
1-(4-(4-Chlorophenyl)-3-phenylbut-2-enyl)pyrrolidine
CID 5375785
3-(4-Chloro-phenyl)-2-(2-chloro-vinyl)-8-methyl-8-aza-bicyclo[3.2.1]octane
CID 9948112
3-(4-Chloro-phenyl)-8-methyl-2-vinyl-8-aza-bicyclo[3.2.1]octane
CID 15679192
(3S,4S)-4-(4-Chlorophenyl)-1-methyl-3-propylpiperidine
CID 9837874
4-(4-Chlorophenyl)-1-propylpiperidine
CID 70686262
2-(4-Chlorophenyl)-7-methyl-7-azabicyclo[2.2.1]heptane
CID 10331118
(2S,3S)-2-Butyl-3-(4-chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane
CID 44335535
(2R,3S)-3-(4-Chloro-phenyl)-2-((Z)-2-chloro-vinyl)-8-methyl-8-aza-bicyclo[3.2.1]octane
CID 44335537
(2S,3S)-3-(4-Chloro-phenyl)-8-methyl-2-((E)-styryl)-8-aza-bicyclo[3.2.1]octane
CID 44335538

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-4-phenylbutyl]pyrrolidine?
The IUPAC name of 1-[3-(4-chlorophenyl)-4-phenylbutyl]pyrrolidine (CID 4887421) is 1-[3-(4-chlorophenyl)-4-phenylbutyl]pyrrolidine.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-4-phenylbutyl]pyrrolidine?
The canonical SMILES for 1-[3-(4-chlorophenyl)-4-phenylbutyl]pyrrolidine is Clc1ccc(C(CCN2CCCC2)Cc2ccccc2)cc1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-4-phenylbutyl]pyrrolidine?
The InChIKey is CVFDUSPRRDVDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN/c21-20-10-8-18(9-11-20)19(12-15-22-13-4-5-14-22)16-17-6-2-1-3-7-17/h1-3,6-11,19H,4-5,12-16H2.
What are the key properties of 1-[3-(4-chlorophenyl)-4-phenylbutyl]pyrrolidine?
1-[3-(4-chlorophenyl)-4-phenylbutyl]pyrrolidine has a molecular weight of 313.87 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-4-phenylbutyl]pyrrolidine is sourced from PubChem (CID 4887421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).