N-(3,4-dichlorophenyl)-N',N'-diethyl-N-methylethane-1,2-diamine

C13H20Cl2N2 — CID 23317090

IUPACN-(3,4-dichlorophenyl)-N',N'-diethyl-N-methylethane-1,2-diamine
SMILESCCN(CC)CCN(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H20Cl2N2/c1-4-17(5-2)9-8-16(3)11-6-7-12(14)13(15)10-11/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyNUAXWSXOFBSEPQ-UHFFFAOYSA-N
MW275.22 g/mol
LogP3.77
Rot. Bonds6

About N-(3,4-dichlorophenyl)-N',N'-diethyl-N-methylethane-1,2-diamine

N-(3,4-dichlorophenyl)-N',N'-diethyl-N-methylethane-1,2-diamine (PubChem CID 23317090) has the molecular formula C13H20Cl2N2 and a molecular weight of 275.22 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N',N'-diethyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N',N'-diethyl-N-methylethane-1,2-diamine
PubChem CID23317090
Molecular FormulaC13H20Cl2N2
Molecular Weight275.22 g/mol
Exact Mass274.10
IUPAC NameN-(3,4-dichlorophenyl)-N',N'-diethyl-N-methylethane-1,2-diamine
SMILESCCN(CC)CCN(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H20Cl2N2/c1-4-17(5-2)9-8-16(3)11-6-7-12(14)13(15)10-11/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyNUAXWSXOFBSEPQ-UHFFFAOYSA-N
XLogP3.77
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N',N'-diethyl-N-methylethane-1,2-diamine?
The IUPAC name of N-(3,4-dichlorophenyl)-N',N'-diethyl-N-methylethane-1,2-diamine (CID 23317090) is N-(3,4-dichlorophenyl)-N',N'-diethyl-N-methylethane-1,2-diamine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N',N'-diethyl-N-methylethane-1,2-diamine?
The canonical SMILES for N-(3,4-dichlorophenyl)-N',N'-diethyl-N-methylethane-1,2-diamine is CCN(CC)CCN(C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-N',N'-diethyl-N-methylethane-1,2-diamine?
The InChIKey is NUAXWSXOFBSEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2/c1-4-17(5-2)9-8-16(3)11-6-7-12(14)13(15)10-11/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of N-(3,4-dichlorophenyl)-N',N'-diethyl-N-methylethane-1,2-diamine?
N-(3,4-dichlorophenyl)-N',N'-diethyl-N-methylethane-1,2-diamine has a molecular weight of 275.22 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-N',N'-diethyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 23317090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).