4-phenylpyrrolidin-3-amine

C10H14N2 — CID 11286633

IUPAC4-phenylpyrrolidin-3-amine
SMILESNC1CNCC1c1ccccc1
InChIInChI=1S/C10H14N2/c11-10-7-12-6-9(10)8-4-2-1-3-5-8/h1-5,9-10,12H,6-7,11H2
InChIKeySTVJPRMSEZRNNG-UHFFFAOYSA-N
MW162.24 g/mol
LogP0.70
Rot. Bonds1

About 4-phenylpyrrolidin-3-amine

4-phenylpyrrolidin-3-amine (PubChem CID 11286633) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 4-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name4-phenylpyrrolidin-3-amine
PubChem CID11286633
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name4-phenylpyrrolidin-3-amine
SMILESNC1CNCC1c1ccccc1
InChIInChI=1S/C10H14N2/c11-10-7-12-6-9(10)8-4-2-1-3-5-8/h1-5,9-10,12H,6-7,11H2
InChIKeySTVJPRMSEZRNNG-UHFFFAOYSA-N
XLogP0.70
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenylpyrrolidin-3-amine?
The IUPAC name of 4-phenylpyrrolidin-3-amine (CID 11286633) is 4-phenylpyrrolidin-3-amine.
What is the SMILES notation for 4-phenylpyrrolidin-3-amine?
The canonical SMILES for 4-phenylpyrrolidin-3-amine is NC1CNCC1c1ccccc1.
What is the InChIKey of 4-phenylpyrrolidin-3-amine?
The InChIKey is STVJPRMSEZRNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c11-10-7-12-6-9(10)8-4-2-1-3-5-8/h1-5,9-10,12H,6-7,11H2.
What are the key properties of 4-phenylpyrrolidin-3-amine?
4-phenylpyrrolidin-3-amine has a molecular weight of 162.24 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylpyrrolidin-3-amine is sourced from PubChem (CID 11286633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).