2-ethyl-3-(3-phenoxyphenyl)pyrrolidine

C18H21NO — CID 63468592

IUPAC2-ethyl-3-(3-phenoxyphenyl)pyrrolidine
SMILESCCC1NCCC1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H21NO/c1-2-18-17(11-12-19-18)14-7-6-10-16(13-14)20-15-8-4-3-5-9-15/h3-10,13,17-19H,2,11-12H2,1H3
InChIKeyMAQHEYPKWNQNLQ-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.33
Rot. Bonds4

About 2-ethyl-3-(3-phenoxyphenyl)pyrrolidine

2-ethyl-3-(3-phenoxyphenyl)pyrrolidine (PubChem CID 63468592) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-ethyl-3-(3-phenoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name2-ethyl-3-(3-phenoxyphenyl)pyrrolidine
PubChem CID63468592
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-ethyl-3-(3-phenoxyphenyl)pyrrolidine
SMILESCCC1NCCC1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H21NO/c1-2-18-17(11-12-19-18)14-7-6-10-16(13-14)20-15-8-4-3-5-9-15/h3-10,13,17-19H,2,11-12H2,1H3
InChIKeyMAQHEYPKWNQNLQ-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(3-phenoxyphenyl)pyrrolidine?
The IUPAC name of 2-ethyl-3-(3-phenoxyphenyl)pyrrolidine (CID 63468592) is 2-ethyl-3-(3-phenoxyphenyl)pyrrolidine.
What is the SMILES notation for 2-ethyl-3-(3-phenoxyphenyl)pyrrolidine?
The canonical SMILES for 2-ethyl-3-(3-phenoxyphenyl)pyrrolidine is CCC1NCCC1c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-ethyl-3-(3-phenoxyphenyl)pyrrolidine?
The InChIKey is MAQHEYPKWNQNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-18-17(11-12-19-18)14-7-6-10-16(13-14)20-15-8-4-3-5-9-15/h3-10,13,17-19H,2,11-12H2,1H3.
What are the key properties of 2-ethyl-3-(3-phenoxyphenyl)pyrrolidine?
2-ethyl-3-(3-phenoxyphenyl)pyrrolidine has a molecular weight of 267.37 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(3-phenoxyphenyl)pyrrolidine is sourced from PubChem (CID 63468592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).