1-[2-[4-[(2,6-dichlorophenyl)methoxy]phenoxy]ethyl]pyrrolidine

C19H21Cl2NO2 — CID 18678156

IUPAC1-[2-[4-[(2,6-dichlorophenyl)methoxy]phenoxy]ethyl]pyrrolidine
SMILESClc1cccc(Cl)c1COc1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C19H21Cl2NO2/c20-18-4-3-5-19(21)17(18)14-24-16-8-6-15(7-9-16)23-13-12-22-10-1-2-11-22/h3-9H,1-2,10-14H2
InChIKeyKPRHKZOPAALGQO-UHFFFAOYSA-N
MW366.29 g/mol
LogP5.05
Rot. Bonds7

About 1-[2-[4-[(2,6-dichlorophenyl)methoxy]phenoxy]ethyl]pyrrolidine

1-[2-[4-[(2,6-dichlorophenyl)methoxy]phenoxy]ethyl]pyrrolidine (PubChem CID 18678156) has the molecular formula C19H21Cl2NO2 and a molecular weight of 366.29 g/mol. Its IUPAC name is 1-[2-[4-[(2,6-dichlorophenyl)methoxy]phenoxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[4-[(2,6-dichlorophenyl)methoxy]phenoxy]ethyl]pyrrolidine
PubChem CID18678156
Molecular FormulaC19H21Cl2NO2
Molecular Weight366.29 g/mol
Exact Mass365.09
IUPAC Name1-[2-[4-[(2,6-dichlorophenyl)methoxy]phenoxy]ethyl]pyrrolidine
SMILESClc1cccc(Cl)c1COc1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C19H21Cl2NO2/c20-18-4-3-5-19(21)17(18)14-24-16-8-6-15(7-9-16)23-13-12-22-10-1-2-11-22/h3-9H,1-2,10-14H2
InChIKeyKPRHKZOPAALGQO-UHFFFAOYSA-N
XLogP5.05
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.29
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-[(2,6-dichlorophenyl)methyl]-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine
CID 11851598
1-[3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine
CID 170863707
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
2-chloro-4-(2-pyrrolidin-1-ylethoxy)aniline
CID 107910973
1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrrolidine
CID 82727267
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
1,3-dichloro-2-[(4-iodophenoxy)methyl]benzene
CID 60627529
2-[(4-bromophenoxy)methyl]-1,3-dichlorobenzene
CID 925892
lithium 1-[2-(phenoxy)ethyl]piperidine
CID 57351466
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(2,6-dichlorophenyl)methoxy]phenoxy]ethyl]pyrrolidine?
The IUPAC name of 1-[2-[4-[(2,6-dichlorophenyl)methoxy]phenoxy]ethyl]pyrrolidine (CID 18678156) is 1-[2-[4-[(2,6-dichlorophenyl)methoxy]phenoxy]ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[4-[(2,6-dichlorophenyl)methoxy]phenoxy]ethyl]pyrrolidine?
The canonical SMILES for 1-[2-[4-[(2,6-dichlorophenyl)methoxy]phenoxy]ethyl]pyrrolidine is Clc1cccc(Cl)c1COc1ccc(OCCN2CCCC2)cc1.
What is the InChIKey of 1-[2-[4-[(2,6-dichlorophenyl)methoxy]phenoxy]ethyl]pyrrolidine?
The InChIKey is KPRHKZOPAALGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO2/c20-18-4-3-5-19(21)17(18)14-24-16-8-6-15(7-9-16)23-13-12-22-10-1-2-11-22/h3-9H,1-2,10-14H2.
What are the key properties of 1-[2-[4-[(2,6-dichlorophenyl)methoxy]phenoxy]ethyl]pyrrolidine?
1-[2-[4-[(2,6-dichlorophenyl)methoxy]phenoxy]ethyl]pyrrolidine has a molecular weight of 366.29 g/mol, XLogP of 5.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(2,6-dichlorophenyl)methoxy]phenoxy]ethyl]pyrrolidine is sourced from PubChem (CID 18678156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).