3-phenyl-1-propan-2-ylpyrrolidine

C13H19N — CID 3447557

IUPAC3-phenyl-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCC(c2ccccc2)C1
InChIInChI=1S/C13H19N/c1-11(2)14-9-8-13(10-14)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3
InChIKeyIKRKNBZNWVMXDM-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.88
Rot. Bonds2

About 3-phenyl-1-propan-2-ylpyrrolidine

3-phenyl-1-propan-2-ylpyrrolidine (PubChem CID 3447557) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-phenyl-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-phenyl-1-propan-2-ylpyrrolidine
PubChem CID3447557
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name3-phenyl-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCC(c2ccccc2)C1
InChIInChI=1S/C13H19N/c1-11(2)14-9-8-13(10-14)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3
InChIKeyIKRKNBZNWVMXDM-UHFFFAOYSA-N
XLogP2.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-phenyl-1-propan-2-ylpyrrolidine 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-phenyl-1-propan-2-ylazetidine
CID 23628
3-(3-phenylpyrrolidin-1-yl)butan-2-ol
CID 62133226
(3S)-3-(4-fluorophenyl)-1-propan-2-ylpyrrolidine
CID 166826823
3-naphthalen-2-yl-1-propan-2-ylpyrrolidine
CID 70971657
2-methyl-3-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 79406550
(3S)-1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrrolidine
CID 170687976
N,3-dimethyl-2-(3-phenylpyrrolidin-1-yl)butan-1-amine
CID 62412660
3-(3-phenylpyrrolidin-1-yl)-N-propan-2-ylbutan-1-amine
CID 62413169
N-methyl-2-(3-phenylpyrrolidin-1-yl)pentan-3-amine
CID 62132289
2-methyl-N-(2-methylpropyl)-3-(3-phenylpyrrolidin-1-yl)butan-1-amine
CID 81012350
ethyl 2-(3-phenylpyrrolidin-1-yl)propanoate
CID 62070395
2-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 55039477

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-propan-2-ylpyrrolidine?
The IUPAC name of 3-phenyl-1-propan-2-ylpyrrolidine (CID 3447557) is 3-phenyl-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-phenyl-1-propan-2-ylpyrrolidine?
The canonical SMILES for 3-phenyl-1-propan-2-ylpyrrolidine is CC(C)N1CCC(c2ccccc2)C1.
What is the InChIKey of 3-phenyl-1-propan-2-ylpyrrolidine?
The InChIKey is IKRKNBZNWVMXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-11(2)14-9-8-13(10-14)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3.
What are the key properties of 3-phenyl-1-propan-2-ylpyrrolidine?
3-phenyl-1-propan-2-ylpyrrolidine has a molecular weight of 189.30 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 3447557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).