3-[2-methoxy-5-(2-methylphenyl)phenyl]pyrrolidine

C18H21NO — CID 46205370

IUPAC3-[2-methoxy-5-(2-methylphenyl)phenyl]pyrrolidine
SMILESCOc1ccc(-c2ccccc2C)cc1C1CCNC1
InChIInChI=1S/C18H21NO/c1-13-5-3-4-6-16(13)14-7-8-18(20-2)17(11-14)15-9-10-19-12-15/h3-8,11,15,19H,9-10,12H2,1-2H3
InChIKeyMZIVDGJKDNNHTQ-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.75
Rot. Bonds3

About 3-[2-methoxy-5-(2-methylphenyl)phenyl]pyrrolidine

3-[2-methoxy-5-(2-methylphenyl)phenyl]pyrrolidine (PubChem CID 46205370) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[2-methoxy-5-(2-methylphenyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name3-[2-methoxy-5-(2-methylphenyl)phenyl]pyrrolidine
PubChem CID46205370
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name3-[2-methoxy-5-(2-methylphenyl)phenyl]pyrrolidine
SMILESCOc1ccc(-c2ccccc2C)cc1C1CCNC1
InChIInChI=1S/C18H21NO/c1-13-5-3-4-6-16(13)14-7-8-18(20-2)17(11-14)15-9-10-19-12-15/h3-8,11,15,19H,9-10,12H2,1-2H3
InChIKeyMZIVDGJKDNNHTQ-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-5-(2-methylphenyl)phenyl]pyrrolidine?
The IUPAC name of 3-[2-methoxy-5-(2-methylphenyl)phenyl]pyrrolidine (CID 46205370) is 3-[2-methoxy-5-(2-methylphenyl)phenyl]pyrrolidine.
What is the SMILES notation for 3-[2-methoxy-5-(2-methylphenyl)phenyl]pyrrolidine?
The canonical SMILES for 3-[2-methoxy-5-(2-methylphenyl)phenyl]pyrrolidine is COc1ccc(-c2ccccc2C)cc1C1CCNC1.
What is the InChIKey of 3-[2-methoxy-5-(2-methylphenyl)phenyl]pyrrolidine?
The InChIKey is MZIVDGJKDNNHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-5-3-4-6-16(13)14-7-8-18(20-2)17(11-14)15-9-10-19-12-15/h3-8,11,15,19H,9-10,12H2,1-2H3.
What are the key properties of 3-[2-methoxy-5-(2-methylphenyl)phenyl]pyrrolidine?
3-[2-methoxy-5-(2-methylphenyl)phenyl]pyrrolidine has a molecular weight of 267.37 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-5-(2-methylphenyl)phenyl]pyrrolidine is sourced from PubChem (CID 46205370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).