3-[4-chloro-3-(2-methoxyphenyl)phenyl]-1-methylpyrrolidine

C18H20ClNO — CID 166629666

IUPAC3-[4-chloro-3-(2-methoxyphenyl)phenyl]-1-methylpyrrolidine
SMILESCOc1ccccc1-c1cc(C2CCN(C)C2)ccc1Cl
InChIInChI=1S/C18H20ClNO/c1-20-10-9-14(12-20)13-7-8-17(19)16(11-13)15-5-3-4-6-18(15)21-2/h3-8,11,14H,9-10,12H2,1-2H3
InChIKeyMQLWANLDQKRYQY-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.43
Rot. Bonds3

About 3-[4-chloro-3-(2-methoxyphenyl)phenyl]-1-methylpyrrolidine

3-[4-chloro-3-(2-methoxyphenyl)phenyl]-1-methylpyrrolidine (PubChem CID 166629666) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 3-[4-chloro-3-(2-methoxyphenyl)phenyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name3-[4-chloro-3-(2-methoxyphenyl)phenyl]-1-methylpyrrolidine
PubChem CID166629666
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name3-[4-chloro-3-(2-methoxyphenyl)phenyl]-1-methylpyrrolidine
SMILESCOc1ccccc1-c1cc(C2CCN(C)C2)ccc1Cl
InChIInChI=1S/C18H20ClNO/c1-20-10-9-14(12-20)13-7-8-17(19)16(11-13)15-5-3-4-6-18(15)21-2/h3-8,11,14H,9-10,12H2,1-2H3
InChIKeyMQLWANLDQKRYQY-UHFFFAOYSA-N
XLogP4.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-3-(2-methoxyphenyl)phenyl]-1-methylpyrrolidine?
The IUPAC name of 3-[4-chloro-3-(2-methoxyphenyl)phenyl]-1-methylpyrrolidine (CID 166629666) is 3-[4-chloro-3-(2-methoxyphenyl)phenyl]-1-methylpyrrolidine.
What is the SMILES notation for 3-[4-chloro-3-(2-methoxyphenyl)phenyl]-1-methylpyrrolidine?
The canonical SMILES for 3-[4-chloro-3-(2-methoxyphenyl)phenyl]-1-methylpyrrolidine is COc1ccccc1-c1cc(C2CCN(C)C2)ccc1Cl.
What is the InChIKey of 3-[4-chloro-3-(2-methoxyphenyl)phenyl]-1-methylpyrrolidine?
The InChIKey is MQLWANLDQKRYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-20-10-9-14(12-20)13-7-8-17(19)16(11-13)15-5-3-4-6-18(15)21-2/h3-8,11,14H,9-10,12H2,1-2H3.
What are the key properties of 3-[4-chloro-3-(2-methoxyphenyl)phenyl]-1-methylpyrrolidine?
3-[4-chloro-3-(2-methoxyphenyl)phenyl]-1-methylpyrrolidine has a molecular weight of 301.82 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-3-(2-methoxyphenyl)phenyl]-1-methylpyrrolidine is sourced from PubChem (CID 166629666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).