N-(3-chlorophenyl)pyrrolidin-3-amine

C10H13ClN2 — CID 66545623

IUPACN-(3-chlorophenyl)pyrrolidin-3-amine
SMILESClc1cccc(NC2CCNC2)c1
InChIInChI=1S/C10H13ClN2/c11-8-2-1-3-9(6-8)13-10-4-5-12-7-10/h1-3,6,10,12-13H,4-5,7H2
InChIKeyGFHCSIJCLZAWKC-UHFFFAOYSA-N
MW196.68 g/mol
LogP2.11
Rot. Bonds2

About N-(3-chlorophenyl)pyrrolidin-3-amine

N-(3-chlorophenyl)pyrrolidin-3-amine (PubChem CID 66545623) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is N-(3-chlorophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)pyrrolidin-3-amine
PubChem CID66545623
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC NameN-(3-chlorophenyl)pyrrolidin-3-amine
SMILESClc1cccc(NC2CCNC2)c1
InChIInChI=1S/C10H13ClN2/c11-8-2-1-3-9(6-8)13-10-4-5-12-7-10/h1-3,6,10,12-13H,4-5,7H2
InChIKeyGFHCSIJCLZAWKC-UHFFFAOYSA-N
XLogP2.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)pyrrolidin-3-amine?
The IUPAC name of N-(3-chlorophenyl)pyrrolidin-3-amine (CID 66545623) is N-(3-chlorophenyl)pyrrolidin-3-amine.
What is the SMILES notation for N-(3-chlorophenyl)pyrrolidin-3-amine?
The canonical SMILES for N-(3-chlorophenyl)pyrrolidin-3-amine is Clc1cccc(NC2CCNC2)c1.
What is the InChIKey of N-(3-chlorophenyl)pyrrolidin-3-amine?
The InChIKey is GFHCSIJCLZAWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c11-8-2-1-3-9(6-8)13-10-4-5-12-7-10/h1-3,6,10,12-13H,4-5,7H2.
What are the key properties of N-(3-chlorophenyl)pyrrolidin-3-amine?
N-(3-chlorophenyl)pyrrolidin-3-amine has a molecular weight of 196.68 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 66545623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).