1-[3-(4-chlorophenyl)phenyl]pyrrolidine

C16H16ClN — CID 168512665

IUPAC1-[3-(4-chlorophenyl)phenyl]pyrrolidine
SMILESClc1ccc(-c2cccc(N3CCCC3)c2)cc1
InChIInChI=1S/C16H16ClN/c17-15-8-6-13(7-9-15)14-4-3-5-16(12-14)18-10-1-2-11-18/h3-9,12H,1-2,10-11H2
InChIKeyUAOLAODDDBBYRP-UHFFFAOYSA-N
MW257.76 g/mol
LogP4.61
Rot. Bonds2

About 1-[3-(4-chlorophenyl)phenyl]pyrrolidine

1-[3-(4-chlorophenyl)phenyl]pyrrolidine (PubChem CID 168512665) has the molecular formula C16H16ClN and a molecular weight of 257.76 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)phenyl]pyrrolidine
PubChem CID168512665
Molecular FormulaC16H16ClN
Molecular Weight257.76 g/mol
Exact Mass257.10
IUPAC Name1-[3-(4-chlorophenyl)phenyl]pyrrolidine
SMILESClc1ccc(-c2cccc(N3CCCC3)c2)cc1
InChIInChI=1S/C16H16ClN/c17-15-8-6-13(7-9-15)14-4-3-5-16(12-14)18-10-1-2-11-18/h3-9,12H,1-2,10-11H2
InChIKeyUAOLAODDDBBYRP-UHFFFAOYSA-N
XLogP4.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-pyrrolidin-1-ylphenyl)benzonitrile
CID 168513837
1-(3-chlorophenyl)azonane
CID 145391535
1-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrrolidine
CID 168514944
1-(3-thiophen-3-ylphenyl)pyrrolidine
CID 145461347
2-(3-pyrrolidin-1-ylphenyl)pyrimidine
CID 168513243
3-(3-piperidin-1-ylphenyl)pyridine
CID 166240155
N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylaniline
CID 60943058
5-(3-pyrrolidin-1-ylphenyl)-1H-pyrazole
CID 141365895
1-[4-(3-methoxyphenyl)phenyl]pyrrolidine
CID 168512705
1-[3-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine
CID 174707727
1-(3-bromophenyl)pyrrolidine
CID 7016459
(3-pyrrolidin-1-ylphenyl)methanol
CID 7162062

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)phenyl]pyrrolidine?
The IUPAC name of 1-[3-(4-chlorophenyl)phenyl]pyrrolidine (CID 168512665) is 1-[3-(4-chlorophenyl)phenyl]pyrrolidine.
What is the SMILES notation for 1-[3-(4-chlorophenyl)phenyl]pyrrolidine?
The canonical SMILES for 1-[3-(4-chlorophenyl)phenyl]pyrrolidine is Clc1ccc(-c2cccc(N3CCCC3)c2)cc1.
What is the InChIKey of 1-[3-(4-chlorophenyl)phenyl]pyrrolidine?
The InChIKey is UAOLAODDDBBYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN/c17-15-8-6-13(7-9-15)14-4-3-5-16(12-14)18-10-1-2-11-18/h3-9,12H,1-2,10-11H2.
What are the key properties of 1-[3-(4-chlorophenyl)phenyl]pyrrolidine?
1-[3-(4-chlorophenyl)phenyl]pyrrolidine has a molecular weight of 257.76 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)phenyl]pyrrolidine is sourced from PubChem (CID 168512665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).