2-ethyl-3-methyl-3-(4-propylphenyl)pyrrolidine

C16H25N — CID 55191908

IUPAC2-ethyl-3-methyl-3-(4-propylphenyl)pyrrolidine
SMILESCCCc1ccc(C2(C)CCNC2CC)cc1
InChIInChI=1S/C16H25N/c1-4-6-13-7-9-14(10-8-13)16(3)11-12-17-15(16)5-2/h7-10,15,17H,4-6,11-12H2,1-3H3
InChIKeyBFTCXRIBEJPYSX-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.67
Rot. Bonds4

About 2-ethyl-3-methyl-3-(4-propylphenyl)pyrrolidine

2-ethyl-3-methyl-3-(4-propylphenyl)pyrrolidine (PubChem CID 55191908) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-ethyl-3-methyl-3-(4-propylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-ethyl-3-methyl-3-(4-propylphenyl)pyrrolidine
PubChem CID55191908
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2-ethyl-3-methyl-3-(4-propylphenyl)pyrrolidine
SMILESCCCc1ccc(C2(C)CCNC2CC)cc1
InChIInChI=1S/C16H25N/c1-4-6-13-7-9-14(10-8-13)16(3)11-12-17-15(16)5-2/h7-10,15,17H,4-6,11-12H2,1-3H3
InChIKeyBFTCXRIBEJPYSX-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-3-(4-propylphenyl)pyrrolidine?
The IUPAC name of 2-ethyl-3-methyl-3-(4-propylphenyl)pyrrolidine (CID 55191908) is 2-ethyl-3-methyl-3-(4-propylphenyl)pyrrolidine.
What is the SMILES notation for 2-ethyl-3-methyl-3-(4-propylphenyl)pyrrolidine?
The canonical SMILES for 2-ethyl-3-methyl-3-(4-propylphenyl)pyrrolidine is CCCc1ccc(C2(C)CCNC2CC)cc1.
What is the InChIKey of 2-ethyl-3-methyl-3-(4-propylphenyl)pyrrolidine?
The InChIKey is BFTCXRIBEJPYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-6-13-7-9-14(10-8-13)16(3)11-12-17-15(16)5-2/h7-10,15,17H,4-6,11-12H2,1-3H3.
What are the key properties of 2-ethyl-3-methyl-3-(4-propylphenyl)pyrrolidine?
2-ethyl-3-methyl-3-(4-propylphenyl)pyrrolidine has a molecular weight of 231.38 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-3-(4-propylphenyl)pyrrolidine is sourced from PubChem (CID 55191908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).