N-(2,5-dichlorophenyl)pyrrolidin-3-amine

C10H12Cl2N2 — CID 79735446

IUPACN-(2,5-dichlorophenyl)pyrrolidin-3-amine
SMILESClc1ccc(Cl)c(NC2CCNC2)c1
InChIInChI=1S/C10H12Cl2N2/c11-7-1-2-9(12)10(5-7)14-8-3-4-13-6-8/h1-2,5,8,13-14H,3-4,6H2
InChIKeyYZRAJQWUVDFLIM-UHFFFAOYSA-N
MW231.13 g/mol
LogP2.77
Rot. Bonds2

About N-(2,5-dichlorophenyl)pyrrolidin-3-amine

N-(2,5-dichlorophenyl)pyrrolidin-3-amine (PubChem CID 79735446) has the molecular formula C10H12Cl2N2 and a molecular weight of 231.13 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)pyrrolidin-3-amine
PubChem CID79735446
Molecular FormulaC10H12Cl2N2
Molecular Weight231.13 g/mol
Exact Mass230.04
IUPAC NameN-(2,5-dichlorophenyl)pyrrolidin-3-amine
SMILESClc1ccc(Cl)c(NC2CCNC2)c1
InChIInChI=1S/C10H12Cl2N2/c11-7-1-2-9(12)10(5-7)14-8-3-4-13-6-8/h1-2,5,8,13-14H,3-4,6H2
InChIKeyYZRAJQWUVDFLIM-UHFFFAOYSA-N
XLogP2.77
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)pyrrolidin-3-amine?
The IUPAC name of N-(2,5-dichlorophenyl)pyrrolidin-3-amine (CID 79735446) is N-(2,5-dichlorophenyl)pyrrolidin-3-amine.
What is the SMILES notation for N-(2,5-dichlorophenyl)pyrrolidin-3-amine?
The canonical SMILES for N-(2,5-dichlorophenyl)pyrrolidin-3-amine is Clc1ccc(Cl)c(NC2CCNC2)c1.
What is the InChIKey of N-(2,5-dichlorophenyl)pyrrolidin-3-amine?
The InChIKey is YZRAJQWUVDFLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2/c11-7-1-2-9(12)10(5-7)14-8-3-4-13-6-8/h1-2,5,8,13-14H,3-4,6H2.
What are the key properties of N-(2,5-dichlorophenyl)pyrrolidin-3-amine?
N-(2,5-dichlorophenyl)pyrrolidin-3-amine has a molecular weight of 231.13 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 79735446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).