N-(3,4-dichlorophenyl)pyrrolidin-3-amine

C10H12Cl2N2 — CID 66545632

IUPACN-(3,4-dichlorophenyl)pyrrolidin-3-amine
SMILESClc1ccc(NC2CCNC2)cc1Cl
InChIInChI=1S/C10H12Cl2N2/c11-9-2-1-7(5-10(9)12)14-8-3-4-13-6-8/h1-2,5,8,13-14H,3-4,6H2
InChIKeyNOFMCYNFCLADCS-UHFFFAOYSA-N
MW231.13 g/mol
LogP2.77
Rot. Bonds2

About N-(3,4-dichlorophenyl)pyrrolidin-3-amine

N-(3,4-dichlorophenyl)pyrrolidin-3-amine (PubChem CID 66545632) has the molecular formula C10H12Cl2N2 and a molecular weight of 231.13 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)pyrrolidin-3-amine
PubChem CID66545632
Molecular FormulaC10H12Cl2N2
Molecular Weight231.13 g/mol
Exact Mass230.04
IUPAC NameN-(3,4-dichlorophenyl)pyrrolidin-3-amine
SMILESClc1ccc(NC2CCNC2)cc1Cl
InChIInChI=1S/C10H12Cl2N2/c11-9-2-1-7(5-10(9)12)14-8-3-4-13-6-8/h1-2,5,8,13-14H,3-4,6H2
InChIKeyNOFMCYNFCLADCS-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-(3,4-dichlorophenyl)pyrrolidin-3-amine?
The IUPAC name of N-(3,4-dichlorophenyl)pyrrolidin-3-amine (CID 66545632) is N-(3,4-dichlorophenyl)pyrrolidin-3-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)pyrrolidin-3-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)pyrrolidin-3-amine is Clc1ccc(NC2CCNC2)cc1Cl.
What is the InChIKey of N-(3,4-dichlorophenyl)pyrrolidin-3-amine?
The InChIKey is NOFMCYNFCLADCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2/c11-9-2-1-7(5-10(9)12)14-8-3-4-13-6-8/h1-2,5,8,13-14H,3-4,6H2.
What are the key properties of N-(3,4-dichlorophenyl)pyrrolidin-3-amine?
N-(3,4-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-(3,4-dichlorophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 66545632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).