N-phenylpyrrolidin-3-amine

C10H14N2 — CID 11412557

IUPACN-phenylpyrrolidin-3-amine
SMILESc1ccc(NC2CCNC2)cc1
InChIInChI=1S/C10H14N2/c1-2-4-9(5-3-1)12-10-6-7-11-8-10/h1-5,10-12H,6-8H2
InChIKeyAAFUQJGCJNFFRT-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.46
Rot. Bonds2

About N-phenylpyrrolidin-3-amine

N-phenylpyrrolidin-3-amine (PubChem CID 11412557) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is N-phenylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-phenylpyrrolidin-3-amine
PubChem CID11412557
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC NameN-phenylpyrrolidin-3-amine
SMILESc1ccc(NC2CCNC2)cc1
InChIInChI=1S/C10H14N2/c1-2-4-9(5-3-1)12-10-6-7-11-8-10/h1-5,10-12H,6-8H2
InChIKeyAAFUQJGCJNFFRT-UHFFFAOYSA-N
XLogP1.46
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-phenylpyrrolidin-3-amine?
The IUPAC name of N-phenylpyrrolidin-3-amine (CID 11412557) is N-phenylpyrrolidin-3-amine.
What is the SMILES notation for N-phenylpyrrolidin-3-amine?
The canonical SMILES for N-phenylpyrrolidin-3-amine is c1ccc(NC2CCNC2)cc1.
What is the InChIKey of N-phenylpyrrolidin-3-amine?
The InChIKey is AAFUQJGCJNFFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-2-4-9(5-3-1)12-10-6-7-11-8-10/h1-5,10-12H,6-8H2.
What are the key properties of N-phenylpyrrolidin-3-amine?
N-phenylpyrrolidin-3-amine has a molecular weight of 162.24 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylpyrrolidin-3-amine is sourced from PubChem (CID 11412557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).