2-(1-phenylpropyl)pyrrolidine;hydrochloride

C13H20ClN — CID 17389655

IUPAC2-(1-phenylpropyl)pyrrolidine;hydrochloride
SMILESCCC(c1ccccc1)C1CCCN1.Cl
InChIInChI=1S/C13H19N.ClH/c1-2-12(13-9-6-10-14-13)11-7-4-3-5-8-11;/h3-5,7-8,12-14H,2,6,9-10H2,1H3;1H
InChIKeyBHACXCAOZMXSGG-UHFFFAOYSA-N
MW225.76 g/mol
LogP3.35
Rot. Bonds3

About 2-(1-phenylpropyl)pyrrolidine;hydrochloride

2-(1-phenylpropyl)pyrrolidine;hydrochloride (PubChem CID 17389655) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is 2-(1-phenylpropyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-(1-phenylpropyl)pyrrolidine;hydrochloride
PubChem CID17389655
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name2-(1-phenylpropyl)pyrrolidine;hydrochloride
SMILESCCC(c1ccccc1)C1CCCN1.Cl
InChIInChI=1S/C13H19N.ClH/c1-2-12(13-9-6-10-14-13)11-7-4-3-5-8-11;/h3-5,7-8,12-14H,2,6,9-10H2,1H3;1H
InChIKeyBHACXCAOZMXSGG-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(1-phenylpropyl)pyrrolidine;hydrochloride 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

(2R)-2-[(1S)-1-phenylpropyl]pyrrolidine
CID 7047899
(2S)-2-[(1R)-1-phenylpropyl]pyrrolidine
CID 7047905
(2R)-2-[(1R)-1-phenylpropyl]pyrrolidine
CID 7047901
(2R)-2-[(1R)-1-phenylethyl]pyrrolidine
CID 95732426
phenyl-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 68687169
(1R)-N-methyl-1-phenyl-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 132599012
2,2-diphenyl-1-pyrrolidin-2-ylethanol
CID 69294076
2,2-diphenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 118229705
2,2-diphenyl-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 68647594
2-[1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]pyrrolidine
CID 144524441
1-pyrrolidin-2-ylpropan-1-ol;hydrochloride
CID 172641162
(2S)-2-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]piperidine;hydrochloride
CID 134817222

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpropyl)pyrrolidine;hydrochloride?
The IUPAC name of 2-(1-phenylpropyl)pyrrolidine;hydrochloride (CID 17389655) is 2-(1-phenylpropyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 2-(1-phenylpropyl)pyrrolidine;hydrochloride?
The canonical SMILES for 2-(1-phenylpropyl)pyrrolidine;hydrochloride is CCC(c1ccccc1)C1CCCN1.Cl.
What is the InChIKey of 2-(1-phenylpropyl)pyrrolidine;hydrochloride?
The InChIKey is BHACXCAOZMXSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.ClH/c1-2-12(13-9-6-10-14-13)11-7-4-3-5-8-11;/h3-5,7-8,12-14H,2,6,9-10H2,1H3;1H.
What are the key properties of 2-(1-phenylpropyl)pyrrolidine;hydrochloride?
2-(1-phenylpropyl)pyrrolidine;hydrochloride has a molecular weight of 225.76 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpropyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 17389655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).