3-[5-chloro-2-(3,4-dimethylphenyl)phenyl]pyrrolidine

C18H20ClN — CID 46206344

IUPAC3-[5-chloro-2-(3,4-dimethylphenyl)phenyl]pyrrolidine
SMILESCc1ccc(-c2ccc(Cl)cc2C2CCNC2)cc1C
InChIInChI=1S/C18H20ClN/c1-12-3-4-14(9-13(12)2)17-6-5-16(19)10-18(17)15-7-8-20-11-15/h3-6,9-10,15,20H,7-8,11H2,1-2H3
InChIKeyKKZGJYKQPRGNLC-UHFFFAOYSA-N
MW285.82 g/mol
LogP4.70
Rot. Bonds2

About 3-[5-chloro-2-(3,4-dimethylphenyl)phenyl]pyrrolidine

3-[5-chloro-2-(3,4-dimethylphenyl)phenyl]pyrrolidine (PubChem CID 46206344) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is 3-[5-chloro-2-(3,4-dimethylphenyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name3-[5-chloro-2-(3,4-dimethylphenyl)phenyl]pyrrolidine
PubChem CID46206344
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name3-[5-chloro-2-(3,4-dimethylphenyl)phenyl]pyrrolidine
SMILESCc1ccc(-c2ccc(Cl)cc2C2CCNC2)cc1C
InChIInChI=1S/C18H20ClN/c1-12-3-4-14(9-13(12)2)17-6-5-16(19)10-18(17)15-7-8-20-11-15/h3-6,9-10,15,20H,7-8,11H2,1-2H3
InChIKeyKKZGJYKQPRGNLC-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-(3,4-dimethylphenyl)phenyl]pyrrolidine?
The IUPAC name of 3-[5-chloro-2-(3,4-dimethylphenyl)phenyl]pyrrolidine (CID 46206344) is 3-[5-chloro-2-(3,4-dimethylphenyl)phenyl]pyrrolidine.
What is the SMILES notation for 3-[5-chloro-2-(3,4-dimethylphenyl)phenyl]pyrrolidine?
The canonical SMILES for 3-[5-chloro-2-(3,4-dimethylphenyl)phenyl]pyrrolidine is Cc1ccc(-c2ccc(Cl)cc2C2CCNC2)cc1C.
What is the InChIKey of 3-[5-chloro-2-(3,4-dimethylphenyl)phenyl]pyrrolidine?
The InChIKey is KKZGJYKQPRGNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/c1-12-3-4-14(9-13(12)2)17-6-5-16(19)10-18(17)15-7-8-20-11-15/h3-6,9-10,15,20H,7-8,11H2,1-2H3.
What are the key properties of 3-[5-chloro-2-(3,4-dimethylphenyl)phenyl]pyrrolidine?
3-[5-chloro-2-(3,4-dimethylphenyl)phenyl]pyrrolidine has a molecular weight of 285.82 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2-(3,4-dimethylphenyl)phenyl]pyrrolidine is sourced from PubChem (CID 46206344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).