3-(2-ethylphenyl)-2,2-dimethylpyrrolidine

C14H21N — CID 62416860

IUPAC3-(2-ethylphenyl)-2,2-dimethylpyrrolidine
SMILESCCc1ccccc1C1CCNC1(C)C
InChIInChI=1S/C14H21N/c1-4-11-7-5-6-8-12(11)13-9-10-15-14(13,2)3/h5-8,13,15H,4,9-10H2,1-3H3
InChIKeyNKMXFWGHKWXRKQ-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.10
Rot. Bonds2

About 3-(2-ethylphenyl)-2,2-dimethylpyrrolidine

3-(2-ethylphenyl)-2,2-dimethylpyrrolidine (PubChem CID 62416860) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-(2-ethylphenyl)-2,2-dimethylpyrrolidine.

Molecular Properties

Compound Name3-(2-ethylphenyl)-2,2-dimethylpyrrolidine
PubChem CID62416860
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name3-(2-ethylphenyl)-2,2-dimethylpyrrolidine
SMILESCCc1ccccc1C1CCNC1(C)C
InChIInChI=1S/C14H21N/c1-4-11-7-5-6-8-12(11)13-9-10-15-14(13,2)3/h5-8,13,15H,4,9-10H2,1-3H3
InChIKeyNKMXFWGHKWXRKQ-UHFFFAOYSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenyl)-2,2-dimethylpyrrolidine?
The IUPAC name of 3-(2-ethylphenyl)-2,2-dimethylpyrrolidine (CID 62416860) is 3-(2-ethylphenyl)-2,2-dimethylpyrrolidine.
What is the SMILES notation for 3-(2-ethylphenyl)-2,2-dimethylpyrrolidine?
The canonical SMILES for 3-(2-ethylphenyl)-2,2-dimethylpyrrolidine is CCc1ccccc1C1CCNC1(C)C.
What is the InChIKey of 3-(2-ethylphenyl)-2,2-dimethylpyrrolidine?
The InChIKey is NKMXFWGHKWXRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-4-11-7-5-6-8-12(11)13-9-10-15-14(13,2)3/h5-8,13,15H,4,9-10H2,1-3H3.
What are the key properties of 3-(2-ethylphenyl)-2,2-dimethylpyrrolidine?
3-(2-ethylphenyl)-2,2-dimethylpyrrolidine has a molecular weight of 203.33 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylphenyl)-2,2-dimethylpyrrolidine is sourced from PubChem (CID 62416860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).