1-(3-methyl-2-phenoxyphenyl)pyrrolidine

C17H19NO — CID 168514130

IUPAC1-(3-methyl-2-phenoxyphenyl)pyrrolidine
SMILESCc1cccc(N2CCCC2)c1Oc1ccccc1
InChIInChI=1S/C17H19NO/c1-14-8-7-11-16(18-12-5-6-13-18)17(14)19-15-9-3-2-4-10-15/h2-4,7-11H,5-6,12-13H2,1H3
InChIKeyBQHGRLNKCOGWTL-UHFFFAOYSA-N
MW253.35 g/mol
LogP4.39
Rot. Bonds3

About 1-(3-methyl-2-phenoxyphenyl)pyrrolidine

1-(3-methyl-2-phenoxyphenyl)pyrrolidine (PubChem CID 168514130) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(3-methyl-2-phenoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-methyl-2-phenoxyphenyl)pyrrolidine
PubChem CID168514130
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name1-(3-methyl-2-phenoxyphenyl)pyrrolidine
SMILESCc1cccc(N2CCCC2)c1Oc1ccccc1
InChIInChI=1S/C17H19NO/c1-14-8-7-11-16(18-12-5-6-13-18)17(14)19-15-9-3-2-4-10-15/h2-4,7-11H,5-6,12-13H2,1H3
InChIKeyBQHGRLNKCOGWTL-UHFFFAOYSA-N
XLogP4.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-phenoxyphenyl)pyrrolidine?
The IUPAC name of 1-(3-methyl-2-phenoxyphenyl)pyrrolidine (CID 168514130) is 1-(3-methyl-2-phenoxyphenyl)pyrrolidine.
What is the SMILES notation for 1-(3-methyl-2-phenoxyphenyl)pyrrolidine?
The canonical SMILES for 1-(3-methyl-2-phenoxyphenyl)pyrrolidine is Cc1cccc(N2CCCC2)c1Oc1ccccc1.
What is the InChIKey of 1-(3-methyl-2-phenoxyphenyl)pyrrolidine?
The InChIKey is BQHGRLNKCOGWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-14-8-7-11-16(18-12-5-6-13-18)17(14)19-15-9-3-2-4-10-15/h2-4,7-11H,5-6,12-13H2,1H3.
What are the key properties of 1-(3-methyl-2-phenoxyphenyl)pyrrolidine?
1-(3-methyl-2-phenoxyphenyl)pyrrolidine has a molecular weight of 253.35 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-phenoxyphenyl)pyrrolidine is sourced from PubChem (CID 168514130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).