3-(3-ethylphenyl)-1-methyl-4-propylpyrrolidine

C16H25N — CID 166705984

IUPAC3-(3-ethylphenyl)-1-methyl-4-propylpyrrolidine
SMILESCCCC1CN(C)CC1c1cccc(CC)c1
InChIInChI=1S/C16H25N/c1-4-7-15-11-17(3)12-16(15)14-9-6-8-13(5-2)10-14/h6,8-10,15-16H,4-5,7,11-12H2,1-3H3
InChIKeyXWJQXQPJQWSQFH-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.69
Rot. Bonds4

About 3-(3-ethylphenyl)-1-methyl-4-propylpyrrolidine

3-(3-ethylphenyl)-1-methyl-4-propylpyrrolidine (PubChem CID 166705984) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-(3-ethylphenyl)-1-methyl-4-propylpyrrolidine.

Molecular Properties

Compound Name3-(3-ethylphenyl)-1-methyl-4-propylpyrrolidine
PubChem CID166705984
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3-(3-ethylphenyl)-1-methyl-4-propylpyrrolidine
SMILESCCCC1CN(C)CC1c1cccc(CC)c1
InChIInChI=1S/C16H25N/c1-4-7-15-11-17(3)12-16(15)14-9-6-8-13(5-2)10-14/h6,8-10,15-16H,4-5,7,11-12H2,1-3H3
InChIKeyXWJQXQPJQWSQFH-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylphenyl)-1-methyl-4-propylpyrrolidine?
The IUPAC name of 3-(3-ethylphenyl)-1-methyl-4-propylpyrrolidine (CID 166705984) is 3-(3-ethylphenyl)-1-methyl-4-propylpyrrolidine.
What is the SMILES notation for 3-(3-ethylphenyl)-1-methyl-4-propylpyrrolidine?
The canonical SMILES for 3-(3-ethylphenyl)-1-methyl-4-propylpyrrolidine is CCCC1CN(C)CC1c1cccc(CC)c1.
What is the InChIKey of 3-(3-ethylphenyl)-1-methyl-4-propylpyrrolidine?
The InChIKey is XWJQXQPJQWSQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-7-15-11-17(3)12-16(15)14-9-6-8-13(5-2)10-14/h6,8-10,15-16H,4-5,7,11-12H2,1-3H3.
What are the key properties of 3-(3-ethylphenyl)-1-methyl-4-propylpyrrolidine?
3-(3-ethylphenyl)-1-methyl-4-propylpyrrolidine has a molecular weight of 231.38 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylphenyl)-1-methyl-4-propylpyrrolidine is sourced from PubChem (CID 166705984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).