1-[2-[4-[(3-chlorophenyl)methyl]phenoxy]ethyl]pyrrolidine

C19H22ClNO — CID 10519454

IUPAC1-[2-[4-[(3-chlorophenyl)methyl]phenoxy]ethyl]pyrrolidine
SMILESClc1cccc(Cc2ccc(OCCN3CCCC3)cc2)c1
InChIInChI=1S/C19H22ClNO/c20-18-5-3-4-17(15-18)14-16-6-8-19(9-7-16)22-13-12-21-10-1-2-11-21/h3-9,15H,1-2,10-14H2
InChIKeyWQOXEIBBJRNKMC-UHFFFAOYSA-N
MW315.84 g/mol
LogP4.41
Rot. Bonds6

About 1-[2-[4-[(3-chlorophenyl)methyl]phenoxy]ethyl]pyrrolidine

1-[2-[4-[(3-chlorophenyl)methyl]phenoxy]ethyl]pyrrolidine (PubChem CID 10519454) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is 1-[2-[4-[(3-chlorophenyl)methyl]phenoxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[4-[(3-chlorophenyl)methyl]phenoxy]ethyl]pyrrolidine
PubChem CID10519454
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC Name1-[2-[4-[(3-chlorophenyl)methyl]phenoxy]ethyl]pyrrolidine
SMILESClc1cccc(Cc2ccc(OCCN3CCCC3)cc2)c1
InChIInChI=1S/C19H22ClNO/c20-18-5-3-4-17(15-18)14-16-6-8-19(9-7-16)22-13-12-21-10-1-2-11-21/h3-9,15H,1-2,10-14H2
InChIKeyWQOXEIBBJRNKMC-UHFFFAOYSA-N
XLogP4.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Toremifene
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Tesmilifene
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Idoxifene
CID 3034011
1-Butanamine, 4-(2-(2-(2-chlorophenyl)ethyl)phenoxy)-N,N-dimethyl-, hydrochloride
CID 3055346
Boxidine
CID 31742
Pyrrolidino-benzylphenoxyethanamine
CID 164472
SC 27716
CID 10333202
1-[2-(2-Biphenylyloxy)ethyl]pyrrolidine
CID 803546
1-[2-[4-(1-Methyl-1-phenylethyl)phenoxy]ethyl]pyrrolidine
CID 1329134

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(3-chlorophenyl)methyl]phenoxy]ethyl]pyrrolidine?
The IUPAC name of 1-[2-[4-[(3-chlorophenyl)methyl]phenoxy]ethyl]pyrrolidine (CID 10519454) is 1-[2-[4-[(3-chlorophenyl)methyl]phenoxy]ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[4-[(3-chlorophenyl)methyl]phenoxy]ethyl]pyrrolidine?
The canonical SMILES for 1-[2-[4-[(3-chlorophenyl)methyl]phenoxy]ethyl]pyrrolidine is Clc1cccc(Cc2ccc(OCCN3CCCC3)cc2)c1.
What is the InChIKey of 1-[2-[4-[(3-chlorophenyl)methyl]phenoxy]ethyl]pyrrolidine?
The InChIKey is WQOXEIBBJRNKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO/c20-18-5-3-4-17(15-18)14-16-6-8-19(9-7-16)22-13-12-21-10-1-2-11-21/h3-9,15H,1-2,10-14H2.
What are the key properties of 1-[2-[4-[(3-chlorophenyl)methyl]phenoxy]ethyl]pyrrolidine?
1-[2-[4-[(3-chlorophenyl)methyl]phenoxy]ethyl]pyrrolidine has a molecular weight of 315.84 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(3-chlorophenyl)methyl]phenoxy]ethyl]pyrrolidine is sourced from PubChem (CID 10519454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).