1-(2-phenylethyl)-N-prop-2-ynylpyrrolidin-3-amine

C15H20N2 — CID 61211753

IUPAC1-(2-phenylethyl)-N-prop-2-ynylpyrrolidin-3-amine
SMILESC#CCNC1CCN(CCc2ccccc2)C1
InChIInChI=1S/C15H20N2/c1-2-10-16-15-9-12-17(13-15)11-8-14-6-4-3-5-7-14/h1,3-7,15-16H,8-13H2
InChIKeyFPQMCUQPIWAZJX-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.53
Rot. Bonds5

About 1-(2-phenylethyl)-N-prop-2-ynylpyrrolidin-3-amine

1-(2-phenylethyl)-N-prop-2-ynylpyrrolidin-3-amine (PubChem CID 61211753) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(2-phenylethyl)-N-prop-2-ynylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-phenylethyl)-N-prop-2-ynylpyrrolidin-3-amine
PubChem CID61211753
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name1-(2-phenylethyl)-N-prop-2-ynylpyrrolidin-3-amine
SMILESC#CCNC1CCN(CCc2ccccc2)C1
InChIInChI=1S/C15H20N2/c1-2-10-16-15-9-12-17(13-15)11-8-14-6-4-3-5-7-14/h1,3-7,15-16H,8-13H2
InChIKeyFPQMCUQPIWAZJX-UHFFFAOYSA-N
XLogP1.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-(2-phenylethyl)-N-prop-2-ynylpyrrolidin-3-amine 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

2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
CID 61212508
N-(2,3-dimethylbutyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 64570465
N-(2,2-dimethoxyethyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 61212133
1,1-dimethyl-2-[1-(2-phenylethyl)pyrrolidin-3-yl]hydrazine
CID 83004992
N-methyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]acetamide
CID 61212881
5-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]pentan-2-ol
CID 107267756
(3R)-N-methyl-1-(3-phenylpropyl)pyrrolidin-3-amine
CID 142940640
4-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]piperazin-1-amine
CID 83010441
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
1-phenyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
CID 110901793
6-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]hexan-1-ol
CID 103922220
(2R)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]propan-1-ol
CID 114986909

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-N-prop-2-ynylpyrrolidin-3-amine?
The IUPAC name of 1-(2-phenylethyl)-N-prop-2-ynylpyrrolidin-3-amine (CID 61211753) is 1-(2-phenylethyl)-N-prop-2-ynylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2-phenylethyl)-N-prop-2-ynylpyrrolidin-3-amine?
The canonical SMILES for 1-(2-phenylethyl)-N-prop-2-ynylpyrrolidin-3-amine is C#CCNC1CCN(CCc2ccccc2)C1.
What is the InChIKey of 1-(2-phenylethyl)-N-prop-2-ynylpyrrolidin-3-amine?
The InChIKey is FPQMCUQPIWAZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-2-10-16-15-9-12-17(13-15)11-8-14-6-4-3-5-7-14/h1,3-7,15-16H,8-13H2.
What are the key properties of 1-(2-phenylethyl)-N-prop-2-ynylpyrrolidin-3-amine?
1-(2-phenylethyl)-N-prop-2-ynylpyrrolidin-3-amine has a molecular weight of 228.34 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-N-prop-2-ynylpyrrolidin-3-amine is sourced from PubChem (CID 61211753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).