3-butan-2-yl-3-methyl-2-phenylpyrrolidine

C15H23N — CID 62722746

IUPAC3-butan-2-yl-3-methyl-2-phenylpyrrolidine
SMILESCCC(C)C1(C)CCNC1c1ccccc1
InChIInChI=1S/C15H23N/c1-4-12(2)15(3)10-11-16-14(15)13-8-6-5-7-9-13/h5-9,12,14,16H,4,10-11H2,1-3H3
InChIKeyYDRSKKHFLXTLFD-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.77
Rot. Bonds3

About 3-butan-2-yl-3-methyl-2-phenylpyrrolidine

3-butan-2-yl-3-methyl-2-phenylpyrrolidine (PubChem CID 62722746) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 3-butan-2-yl-3-methyl-2-phenylpyrrolidine.

Molecular Properties

Compound Name3-butan-2-yl-3-methyl-2-phenylpyrrolidine
PubChem CID62722746
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name3-butan-2-yl-3-methyl-2-phenylpyrrolidine
SMILESCCC(C)C1(C)CCNC1c1ccccc1
InChIInChI=1S/C15H23N/c1-4-12(2)15(3)10-11-16-14(15)13-8-6-5-7-9-13/h5-9,12,14,16H,4,10-11H2,1-3H3
InChIKeyYDRSKKHFLXTLFD-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-butan-2-yl-3-methyl-2-phenylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-diethyl-2-phenylpyrrolidine
CID 62721295
3-methyl-2,3-diphenylpyrrolidine
CID 62722920
3,3-difluoro-2-phenylpyrrolidine;hydrochloride
CID 84724544
3-butan-2-yl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-1,4-benzodiazepine
CID 142644277
(3aR,4R,9bS)-3a-methyl-4-phenyl-1,2,3,4,5,9b-hexahydropyrrolo[3,2-c]quinoline;(3aS,4S,9bR)-3a-methyl-4-phenyl-1,2,3,4,5,9b-hexahydropyrrolo[3,2-c]quinoline;tetrahydrochloride
CID 162190975
4,4-difluoro-2-phenylpiperidine;ethane
CID 145285471
2-ethyl-1-(2-ethylbutyl)-2-methyl-5-phenylpiperazine
CID 82926530
[(1S,2R)-2-butan-2-ylcyclopropyl]benzene
CID 100977404
4-methyl-4-(2-methylpropyl)-3-phenylpiperidine
CID 79311894
4,6-diphenyl-7-azaspiro[4.5]decane
CID 139931601
ethane;(3R)-3-phenyl-2-azaspiro[3.4]octane
CID 165136172
1-(2-methylbutyl)-2-phenylcyclohexan-1-ol
CID 65147898

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-3-methyl-2-phenylpyrrolidine?
The IUPAC name of 3-butan-2-yl-3-methyl-2-phenylpyrrolidine (CID 62722746) is 3-butan-2-yl-3-methyl-2-phenylpyrrolidine.
What is the SMILES notation for 3-butan-2-yl-3-methyl-2-phenylpyrrolidine?
The canonical SMILES for 3-butan-2-yl-3-methyl-2-phenylpyrrolidine is CCC(C)C1(C)CCNC1c1ccccc1.
What is the InChIKey of 3-butan-2-yl-3-methyl-2-phenylpyrrolidine?
The InChIKey is YDRSKKHFLXTLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-4-12(2)15(3)10-11-16-14(15)13-8-6-5-7-9-13/h5-9,12,14,16H,4,10-11H2,1-3H3.
What are the key properties of 3-butan-2-yl-3-methyl-2-phenylpyrrolidine?
3-butan-2-yl-3-methyl-2-phenylpyrrolidine has a molecular weight of 217.36 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-3-methyl-2-phenylpyrrolidine is sourced from PubChem (CID 62722746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).