(1-phenylpyrrolidin-3-yl)methanamine

C11H16N2 — CID 23009502

IUPAC(1-phenylpyrrolidin-3-yl)methanamine
SMILESNCC1CCN(c2ccccc2)C1
InChIInChI=1S/C11H16N2/c12-8-10-6-7-13(9-10)11-4-2-1-3-5-11/h1-5,10H,6-9,12H2
InChIKeyYOYVLKMGXMXKMP-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.47
Rot. Bonds2

About (1-phenylpyrrolidin-3-yl)methanamine

(1-phenylpyrrolidin-3-yl)methanamine (PubChem CID 23009502) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (1-phenylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound Name(1-phenylpyrrolidin-3-yl)methanamine
PubChem CID23009502
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(1-phenylpyrrolidin-3-yl)methanamine
SMILESNCC1CCN(c2ccccc2)C1
InChIInChI=1S/C11H16N2/c12-8-10-6-7-13(9-10)11-4-2-1-3-5-11/h1-5,10H,6-9,12H2
InChIKeyYOYVLKMGXMXKMP-UHFFFAOYSA-N
XLogP1.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1-phenylpyrrolidin-3-yl)methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-phenylpyrrolidin-3-yl)methanamine?
The IUPAC name of (1-phenylpyrrolidin-3-yl)methanamine (CID 23009502) is (1-phenylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for (1-phenylpyrrolidin-3-yl)methanamine?
The canonical SMILES for (1-phenylpyrrolidin-3-yl)methanamine is NCC1CCN(c2ccccc2)C1.
What is the InChIKey of (1-phenylpyrrolidin-3-yl)methanamine?
The InChIKey is YOYVLKMGXMXKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c12-8-10-6-7-13(9-10)11-4-2-1-3-5-11/h1-5,10H,6-9,12H2.
What are the key properties of (1-phenylpyrrolidin-3-yl)methanamine?
(1-phenylpyrrolidin-3-yl)methanamine has a molecular weight of 176.26 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 23009502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).