1-benzyl-3-[(4-chlorophenyl)-phenylmethoxy]pyrrolidine

C24H24ClNO — CID 3025248

IUPAC1-benzyl-3-[(4-chlorophenyl)-phenylmethoxy]pyrrolidine
SMILESClc1ccc(C(OC2CCN(Cc3ccccc3)C2)c2ccccc2)cc1
InChIInChI=1S/C24H24ClNO/c25-22-13-11-21(12-14-22)24(20-9-5-2-6-10-20)27-23-15-16-26(18-23)17-19-7-3-1-4-8-19/h1-14,23-24H,15-18H2
InChIKeyAUPVDIUOZIGAGC-UHFFFAOYSA-N
MW377.92 g/mol
LogP5.72
Rot. Bonds6

About 1-benzyl-3-[(4-chlorophenyl)-phenylmethoxy]pyrrolidine

1-benzyl-3-[(4-chlorophenyl)-phenylmethoxy]pyrrolidine (PubChem CID 3025248) has the molecular formula C24H24ClNO and a molecular weight of 377.92 g/mol. Its IUPAC name is 1-benzyl-3-[(4-chlorophenyl)-phenylmethoxy]pyrrolidine.

Molecular Properties

Compound Name1-benzyl-3-[(4-chlorophenyl)-phenylmethoxy]pyrrolidine
PubChem CID3025248
Molecular FormulaC24H24ClNO
Molecular Weight377.92 g/mol
Exact Mass377.15
IUPAC Name1-benzyl-3-[(4-chlorophenyl)-phenylmethoxy]pyrrolidine
SMILESClc1ccc(C(OC2CCN(Cc3ccccc3)C2)c2ccccc2)cc1
InChIInChI=1S/C24H24ClNO/c25-22-13-11-21(12-14-22)24(20-9-5-2-6-10-20)27-23-15-16-26(18-23)17-19-7-3-1-4-8-19/h1-14,23-24H,15-18H2
InChIKeyAUPVDIUOZIGAGC-UHFFFAOYSA-N
XLogP5.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.92
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Cloperastine
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Cloperastine Hydrochloride
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Clobenztropine
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Chlorbenzoxamine
CID 71636
ML398
CID 72737723
2-[2-[1-(4-Chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine
CID 2781
SL 6057
CID 203135
Mecloxamine
CID 3045406
Levocloperastine
CID 688420
3-((4-Chlorophenyl)phenylmethoxy)-1-methylpyrrolidine
CID 201848
(3-endo)-3-[Bis(4-chlorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane
CID 9976807

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(4-chlorophenyl)-phenylmethoxy]pyrrolidine?
The IUPAC name of 1-benzyl-3-[(4-chlorophenyl)-phenylmethoxy]pyrrolidine (CID 3025248) is 1-benzyl-3-[(4-chlorophenyl)-phenylmethoxy]pyrrolidine.
What is the SMILES notation for 1-benzyl-3-[(4-chlorophenyl)-phenylmethoxy]pyrrolidine?
The canonical SMILES for 1-benzyl-3-[(4-chlorophenyl)-phenylmethoxy]pyrrolidine is Clc1ccc(C(OC2CCN(Cc3ccccc3)C2)c2ccccc2)cc1.
What is the InChIKey of 1-benzyl-3-[(4-chlorophenyl)-phenylmethoxy]pyrrolidine?
The InChIKey is AUPVDIUOZIGAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO/c25-22-13-11-21(12-14-22)24(20-9-5-2-6-10-20)27-23-15-16-26(18-23)17-19-7-3-1-4-8-19/h1-14,23-24H,15-18H2.
What are the key properties of 1-benzyl-3-[(4-chlorophenyl)-phenylmethoxy]pyrrolidine?
1-benzyl-3-[(4-chlorophenyl)-phenylmethoxy]pyrrolidine has a molecular weight of 377.92 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(4-chlorophenyl)-phenylmethoxy]pyrrolidine is sourced from PubChem (CID 3025248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).