1-[2-(4-benzyl-2-chlorophenoxy)ethyl]pyrrolidine

C19H22ClNO — CID 10852867

IUPAC1-[2-(4-benzyl-2-chlorophenoxy)ethyl]pyrrolidine
SMILESClc1cc(Cc2ccccc2)ccc1OCCN1CCCC1
InChIInChI=1S/C19H22ClNO/c20-18-15-17(14-16-6-2-1-3-7-16)8-9-19(18)22-13-12-21-10-4-5-11-21/h1-3,6-9,15H,4-5,10-14H2
InChIKeyVARRYIIVLBTVMO-UHFFFAOYSA-N
MW315.84 g/mol
LogP4.41
Rot. Bonds6

About 1-[2-(4-benzyl-2-chlorophenoxy)ethyl]pyrrolidine

1-[2-(4-benzyl-2-chlorophenoxy)ethyl]pyrrolidine (PubChem CID 10852867) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is 1-[2-(4-benzyl-2-chlorophenoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(4-benzyl-2-chlorophenoxy)ethyl]pyrrolidine
PubChem CID10852867
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC Name1-[2-(4-benzyl-2-chlorophenoxy)ethyl]pyrrolidine
SMILESClc1cc(Cc2ccccc2)ccc1OCCN1CCCC1
InChIInChI=1S/C19H22ClNO/c20-18-15-17(14-16-6-2-1-3-7-16)8-9-19(18)22-13-12-21-10-4-5-11-21/h1-3,6-9,15H,4-5,10-14H2
InChIKeyVARRYIIVLBTVMO-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

1-[2-(4-benzyl-2-methoxyphenoxy)ethyl]pyrrolidine
CID 10638790
1-[3-(4-benzyl-2-chlorophenoxy)propyl]pyrazole
CID 19759769
1-[2-[(4-benzylphenyl)methoxy]ethyl]pyrrolidine
CID 10732658
1-[3-(2-chlorophenoxy)propyl]piperidine
CID 2058914
1-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-N-methylethanamine
CID 62911050
(E)-1-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3-diphenylprop-2-en-1-one
CID 20838191
1-[2-(4-azido-2-chlorophenoxy)ethyl]piperidine
CID 150844111
1-[5-(2-chlorophenoxy)pentyl]pyrrolidine
CID 2059007
1-[2-(2-bromo-4-chlorophenoxy)ethyl]piperidine
CID 803399
1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]pyrrolidine
CID 10496628
3-(4-benzylphenyl)-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione
CID 71218001
4,5-dichloro-3,6-bis(2-pyrrolidin-1-ylethoxy)acridine
CID 20553485

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzyl-2-chlorophenoxy)ethyl]pyrrolidine?
The IUPAC name of 1-[2-(4-benzyl-2-chlorophenoxy)ethyl]pyrrolidine (CID 10852867) is 1-[2-(4-benzyl-2-chlorophenoxy)ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-(4-benzyl-2-chlorophenoxy)ethyl]pyrrolidine?
The canonical SMILES for 1-[2-(4-benzyl-2-chlorophenoxy)ethyl]pyrrolidine is Clc1cc(Cc2ccccc2)ccc1OCCN1CCCC1.
What is the InChIKey of 1-[2-(4-benzyl-2-chlorophenoxy)ethyl]pyrrolidine?
The InChIKey is VARRYIIVLBTVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO/c20-18-15-17(14-16-6-2-1-3-7-16)8-9-19(18)22-13-12-21-10-4-5-11-21/h1-3,6-9,15H,4-5,10-14H2.
What are the key properties of 1-[2-(4-benzyl-2-chlorophenoxy)ethyl]pyrrolidine?
1-[2-(4-benzyl-2-chlorophenoxy)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-benzyl-2-chlorophenoxy)ethyl]pyrrolidine is sourced from PubChem (CID 10852867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).