1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]pyrrolidine

C20H24ClNO — CID 10496628

IUPAC1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]pyrrolidine
SMILESClc1ccc(OCCc2ccccc2)c(CCN2CCCC2)c1
InChIInChI=1S/C20H24ClNO/c21-19-8-9-20(23-15-11-17-6-2-1-3-7-17)18(16-19)10-14-22-12-4-5-13-22/h1-3,6-9,16H,4-5,10-15H2
InChIKeyGAQYIAUCJFSION-UHFFFAOYSA-N
MW329.87 g/mol
LogP4.60
Rot. Bonds7

About 1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]pyrrolidine

1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]pyrrolidine (PubChem CID 10496628) has the molecular formula C20H24ClNO and a molecular weight of 329.87 g/mol. Its IUPAC name is 1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]pyrrolidine
PubChem CID10496628
Molecular FormulaC20H24ClNO
Molecular Weight329.87 g/mol
Exact Mass329.15
IUPAC Name1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]pyrrolidine
SMILESClc1ccc(OCCc2ccccc2)c(CCN2CCCC2)c1
InChIInChI=1S/C20H24ClNO/c21-19-8-9-20(23-15-11-17-6-2-1-3-7-17)18(16-19)10-14-22-12-4-5-13-22/h1-3,6-9,16H,4-5,10-15H2
InChIKeyGAQYIAUCJFSION-UHFFFAOYSA-N
XLogP4.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[5-chloro-2-(2-phenylethoxy)phenyl]propyl]-4-(6-methyl-2-pyridinyl)piperazine
CID 10623414
1-[2-(2,5-dichlorophenoxy)ethyl]-4-(2-phenylethyl)piperazine
CID 112808904
1-[5-chloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine
CID 54928974
[5-chloro-2-(3-phenylpropoxy)phenyl]methanol
CID 43324882
2-[5-chloro-2-(3-phenylpropoxy)phenyl]acetic acid
CID 10638258
1-[2-(4-benzyl-2-chlorophenoxy)ethyl]pyrrolidine
CID 10852867
5-[[5-chloro-2-(2-phenylethoxy)phenyl]methyl]furan-2-carboxylic acid
CID 15604735
1-[2-(2-bromo-4-chlorophenoxy)ethyl]piperidine
CID 803399
1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine
CID 869320
4-chloro-2-(2-phenylethoxy)benzoic acid
CID 61379685
1-[2-(4-chlorophenyl)ethyl]pyrrolidine
CID 22364204
1-[(5-chloro-2-phenoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine
CID 23220745

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]pyrrolidine?
The IUPAC name of 1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]pyrrolidine (CID 10496628) is 1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]pyrrolidine?
The canonical SMILES for 1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]pyrrolidine is Clc1ccc(OCCc2ccccc2)c(CCN2CCCC2)c1.
What is the InChIKey of 1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]pyrrolidine?
The InChIKey is GAQYIAUCJFSION-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO/c21-19-8-9-20(23-15-11-17-6-2-1-3-7-17)18(16-19)10-14-22-12-4-5-13-22/h1-3,6-9,16H,4-5,10-15H2.
What are the key properties of 1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]pyrrolidine?
1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]pyrrolidine has a molecular weight of 329.87 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]pyrrolidine is sourced from PubChem (CID 10496628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).