N-phenylpyrrolidin-1-amine

C10H14N2 — CID 12858569

IUPACN-phenylpyrrolidin-1-amine
SMILESc1ccc(NN2CCCC2)cc1
InChIInChI=1S/C10H14N2/c1-2-6-10(7-3-1)11-12-8-4-5-9-12/h1-3,6-7,11H,4-5,8-9H2
InChIKeyWSUKOTKTAJYBHJ-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.11
Rot. Bonds2

About N-phenylpyrrolidin-1-amine

N-phenylpyrrolidin-1-amine (PubChem CID 12858569) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is N-phenylpyrrolidin-1-amine.

Molecular Properties

Compound NameN-phenylpyrrolidin-1-amine
PubChem CID12858569
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC NameN-phenylpyrrolidin-1-amine
SMILESc1ccc(NN2CCCC2)cc1
InChIInChI=1S/C10H14N2/c1-2-6-10(7-3-1)11-12-8-4-5-9-12/h1-3,6-7,11H,4-5,8-9H2
InChIKeyWSUKOTKTAJYBHJ-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-phenylpyrrolidin-1-amine?
The IUPAC name of N-phenylpyrrolidin-1-amine (CID 12858569) is N-phenylpyrrolidin-1-amine.
What is the SMILES notation for N-phenylpyrrolidin-1-amine?
The canonical SMILES for N-phenylpyrrolidin-1-amine is c1ccc(NN2CCCC2)cc1.
What is the InChIKey of N-phenylpyrrolidin-1-amine?
The InChIKey is WSUKOTKTAJYBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-2-6-10(7-3-1)11-12-8-4-5-9-12/h1-3,6-7,11H,4-5,8-9H2.
What are the key properties of N-phenylpyrrolidin-1-amine?
N-phenylpyrrolidin-1-amine has a molecular weight of 162.24 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylpyrrolidin-1-amine is sourced from PubChem (CID 12858569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).