N'-[2-[2-(3,4-dichlorophenyl)ethylamino]ethyl]ethane-1,2-diamine

C12H19Cl2N3 — CID 10107472

IUPACN'-[2-[2-(3,4-dichlorophenyl)ethylamino]ethyl]ethane-1,2-diamine
SMILESNCCNCCNCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H19Cl2N3/c13-11-2-1-10(9-12(11)14)3-5-16-7-8-17-6-4-15/h1-2,9,16-17H,3-8,15H2
InChIKeyQPPJXTHRTYRJPM-UHFFFAOYSA-N
MW276.21 g/mol
LogP1.67
Rot. Bonds8

About N'-[2-[2-(3,4-dichlorophenyl)ethylamino]ethyl]ethane-1,2-diamine

N'-[2-[2-(3,4-dichlorophenyl)ethylamino]ethyl]ethane-1,2-diamine (PubChem CID 10107472) has the molecular formula C12H19Cl2N3 and a molecular weight of 276.21 g/mol. Its IUPAC name is N'-[2-[2-(3,4-dichlorophenyl)ethylamino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[2-(3,4-dichlorophenyl)ethylamino]ethyl]ethane-1,2-diamine
PubChem CID10107472
Molecular FormulaC12H19Cl2N3
Molecular Weight276.21 g/mol
Exact Mass275.10
IUPAC NameN'-[2-[2-(3,4-dichlorophenyl)ethylamino]ethyl]ethane-1,2-diamine
SMILESNCCNCCNCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H19Cl2N3/c13-11-2-1-10(9-12(11)14)3-5-16-7-8-17-6-4-15/h1-2,9,16-17H,3-8,15H2
InChIKeyQPPJXTHRTYRJPM-UHFFFAOYSA-N
XLogP1.67
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(3,4-dichlorophenyl)ethylamino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[2-(3,4-dichlorophenyl)ethylamino]ethyl]ethane-1,2-diamine (CID 10107472) is N'-[2-[2-(3,4-dichlorophenyl)ethylamino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[2-(3,4-dichlorophenyl)ethylamino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[2-(3,4-dichlorophenyl)ethylamino]ethyl]ethane-1,2-diamine is NCCNCCNCCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N'-[2-[2-(3,4-dichlorophenyl)ethylamino]ethyl]ethane-1,2-diamine?
The InChIKey is QPPJXTHRTYRJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Cl2N3/c13-11-2-1-10(9-12(11)14)3-5-16-7-8-17-6-4-15/h1-2,9,16-17H,3-8,15H2.
What are the key properties of N'-[2-[2-(3,4-dichlorophenyl)ethylamino]ethyl]ethane-1,2-diamine?
N'-[2-[2-(3,4-dichlorophenyl)ethylamino]ethyl]ethane-1,2-diamine has a molecular weight of 276.21 g/mol, XLogP of 1.67, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(3,4-dichlorophenyl)ethylamino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 10107472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).