1-[4-(3,5-dichlorophenoxy)phenyl]pyrrolidine

C16H15Cl2NO — CID 168514885

IUPAC1-[4-(3,5-dichlorophenoxy)phenyl]pyrrolidine
SMILESClc1cc(Cl)cc(Oc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C16H15Cl2NO/c17-12-9-13(18)11-16(10-12)20-15-5-3-14(4-6-15)19-7-1-2-8-19/h3-6,9-11H,1-2,7-8H2
InChIKeyAPAQSMOKTQKWTE-UHFFFAOYSA-N
MW308.21 g/mol
LogP5.39
Rot. Bonds3

About 1-[4-(3,5-dichlorophenoxy)phenyl]pyrrolidine

1-[4-(3,5-dichlorophenoxy)phenyl]pyrrolidine (PubChem CID 168514885) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is 1-[4-(3,5-dichlorophenoxy)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[4-(3,5-dichlorophenoxy)phenyl]pyrrolidine
PubChem CID168514885
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name1-[4-(3,5-dichlorophenoxy)phenyl]pyrrolidine
SMILESClc1cc(Cl)cc(Oc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C16H15Cl2NO/c17-12-9-13(18)11-16(10-12)20-15-5-3-14(4-6-15)19-7-1-2-8-19/h3-6,9-11H,1-2,7-8H2
InChIKeyAPAQSMOKTQKWTE-UHFFFAOYSA-N
XLogP5.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.21
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolidine
CID 168512748
4-(4-pyrrolidin-1-ylphenoxy)benzaldehyde
CID 82275259
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
1-[3-chloro-5-(trifluoromethoxy)phenyl]piperidine
CID 175748238
1-(4-methoxyphenyl)piperidine
CID 10130315
N-[(3,5-dichlorophenyl)methyl]-4-pyrrolidin-1-ylaniline
CID 60790170
1-[4-(2-methylphenoxy)phenyl]pyrrolidine
CID 168515858
1-(3,5-dichlorophenyl)-3-(4-piperidin-1-ylphenyl)urea
CID 108992520
4-[3-(4-aminophenoxy)-5-chlorophenoxy]aniline
CID 141268738
ethane;ethene;1-(4-methoxyphenyl)piperidine
CID 144518047
1-(4-phenoxyphenyl)piperazine
CID 3017356
1-(2-chloro-5-pyrrolidin-1-ylphenyl)pyrrolidine
CID 23660792

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dichlorophenoxy)phenyl]pyrrolidine?
The IUPAC name of 1-[4-(3,5-dichlorophenoxy)phenyl]pyrrolidine (CID 168514885) is 1-[4-(3,5-dichlorophenoxy)phenyl]pyrrolidine.
What is the SMILES notation for 1-[4-(3,5-dichlorophenoxy)phenyl]pyrrolidine?
The canonical SMILES for 1-[4-(3,5-dichlorophenoxy)phenyl]pyrrolidine is Clc1cc(Cl)cc(Oc2ccc(N3CCCC3)cc2)c1.
What is the InChIKey of 1-[4-(3,5-dichlorophenoxy)phenyl]pyrrolidine?
The InChIKey is APAQSMOKTQKWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c17-12-9-13(18)11-16(10-12)20-15-5-3-14(4-6-15)19-7-1-2-8-19/h3-6,9-11H,1-2,7-8H2.
What are the key properties of 1-[4-(3,5-dichlorophenoxy)phenyl]pyrrolidine?
1-[4-(3,5-dichlorophenoxy)phenyl]pyrrolidine has a molecular weight of 308.21 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dichlorophenoxy)phenyl]pyrrolidine is sourced from PubChem (CID 168514885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).