2-chloro-N-phenylpyrrolidin-1-amine

C10H13ClN2 — CID 123425797

IUPAC2-chloro-N-phenylpyrrolidin-1-amine
SMILESClC1CCCN1Nc1ccccc1
InChIInChI=1S/C10H13ClN2/c11-10-7-4-8-13(10)12-9-5-2-1-3-6-9/h1-3,5-6,10,12H,4,7-8H2
InChIKeyNQFYTMIJCWLUAK-UHFFFAOYSA-N
MW196.68 g/mol
LogP2.67
Rot. Bonds2

About 2-chloro-N-phenylpyrrolidin-1-amine

2-chloro-N-phenylpyrrolidin-1-amine (PubChem CID 123425797) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 2-chloro-N-phenylpyrrolidin-1-amine.

Molecular Properties

Compound Name2-chloro-N-phenylpyrrolidin-1-amine
PubChem CID123425797
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name2-chloro-N-phenylpyrrolidin-1-amine
SMILESClC1CCCN1Nc1ccccc1
InChIInChI=1S/C10H13ClN2/c11-10-7-4-8-13(10)12-9-5-2-1-3-6-9/h1-3,5-6,10,12H,4,7-8H2
InChIKeyNQFYTMIJCWLUAK-UHFFFAOYSA-N
XLogP2.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-phenylpyrrolidin-1-amine?
The IUPAC name of 2-chloro-N-phenylpyrrolidin-1-amine (CID 123425797) is 2-chloro-N-phenylpyrrolidin-1-amine.
What is the SMILES notation for 2-chloro-N-phenylpyrrolidin-1-amine?
The canonical SMILES for 2-chloro-N-phenylpyrrolidin-1-amine is ClC1CCCN1Nc1ccccc1.
What is the InChIKey of 2-chloro-N-phenylpyrrolidin-1-amine?
The InChIKey is NQFYTMIJCWLUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c11-10-7-4-8-13(10)12-9-5-2-1-3-6-9/h1-3,5-6,10,12H,4,7-8H2.
What are the key properties of 2-chloro-N-phenylpyrrolidin-1-amine?
2-chloro-N-phenylpyrrolidin-1-amine has a molecular weight of 196.68 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-phenylpyrrolidin-1-amine is sourced from PubChem (CID 123425797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).