N'-(2,6-dichlorophenyl)ethane-1,2-diamine

C8H10Cl2N2 — CID 12666310

IUPACN'-(2,6-dichlorophenyl)ethane-1,2-diamine
SMILESNCCNc1c(Cl)cccc1Cl
InChIInChI=1S/C8H10Cl2N2/c9-6-2-1-3-7(10)8(6)12-5-4-11/h1-3,12H,4-5,11H2
InChIKeyXEWPCYPDZQFHCM-UHFFFAOYSA-N
MW205.09 g/mol
LogP2.36
Rot. Bonds3

About N'-(2,6-dichlorophenyl)ethane-1,2-diamine

N'-(2,6-dichlorophenyl)ethane-1,2-diamine (PubChem CID 12666310) has the molecular formula C8H10Cl2N2 and a molecular weight of 205.09 g/mol. Its IUPAC name is N'-(2,6-dichlorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,6-dichlorophenyl)ethane-1,2-diamine
PubChem CID12666310
Molecular FormulaC8H10Cl2N2
Molecular Weight205.09 g/mol
Exact Mass204.02
IUPAC NameN'-(2,6-dichlorophenyl)ethane-1,2-diamine
SMILESNCCNc1c(Cl)cccc1Cl
InChIInChI=1S/C8H10Cl2N2/c9-6-2-1-3-7(10)8(6)12-5-4-11/h1-3,12H,4-5,11H2
InChIKeyXEWPCYPDZQFHCM-UHFFFAOYSA-N
XLogP2.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.09
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dichlorophenyl)ethane-1,2-diamine?
The IUPAC name of N'-(2,6-dichlorophenyl)ethane-1,2-diamine (CID 12666310) is N'-(2,6-dichlorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,6-dichlorophenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,6-dichlorophenyl)ethane-1,2-diamine is NCCNc1c(Cl)cccc1Cl.
What is the InChIKey of N'-(2,6-dichlorophenyl)ethane-1,2-diamine?
The InChIKey is XEWPCYPDZQFHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2/c9-6-2-1-3-7(10)8(6)12-5-4-11/h1-3,12H,4-5,11H2.
What are the key properties of N'-(2,6-dichlorophenyl)ethane-1,2-diamine?
N'-(2,6-dichlorophenyl)ethane-1,2-diamine has a molecular weight of 205.09 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dichlorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 12666310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).