N-(2,6-dichlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine

C10H10Cl2N2 — CID 2302876

IUPACN-(2,6-dichlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESClc1cccc(Cl)c1NC1=NCCC1
InChIInChI=1S/C10H10Cl2N2/c11-7-3-1-4-8(12)10(7)14-9-5-2-6-13-9/h1,3-4H,2,5-6H2,(H,13,14)
InChIKeyZBALZMHKFBREEV-UHFFFAOYSA-N
MW229.11 g/mol
LogP3.60
Rot. Bonds1

About N-(2,6-dichlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine

N-(2,6-dichlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 2302876) has the molecular formula C10H10Cl2N2 and a molecular weight of 229.11 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID2302876
Molecular FormulaC10H10Cl2N2
Molecular Weight229.11 g/mol
Exact Mass228.02
IUPAC NameN-(2,6-dichlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESClc1cccc(Cl)c1NC1=NCCC1
InChIInChI=1S/C10H10Cl2N2/c11-7-3-1-4-8(12)10(7)14-9-5-2-6-13-9/h1,3-4H,2,5-6H2,(H,13,14)
InChIKeyZBALZMHKFBREEV-UHFFFAOYSA-N
XLogP3.60
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.11
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-(2,6-dichlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine (CID 2302876) is N-(2,6-dichlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-(2,6-dichlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine is Clc1cccc(Cl)c1NC1=NCCC1.
What is the InChIKey of N-(2,6-dichlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is ZBALZMHKFBREEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2/c11-7-3-1-4-8(12)10(7)14-9-5-2-6-13-9/h1,3-4H,2,5-6H2,(H,13,14).
What are the key properties of N-(2,6-dichlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine?
N-(2,6-dichlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 229.11 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 2302876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).