N'-[(2,3-dichlorophenyl)methyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine

C13H20Cl2N2 — CID 782424

IUPACN'-[(2,3-dichlorophenyl)methyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine
SMILESCCN(CCN(C)C)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C13H20Cl2N2/c1-4-17(9-8-16(2)3)10-11-6-5-7-12(14)13(11)15/h5-7H,4,8-10H2,1-3H3
InChIKeySLAFWKSYSITCAU-UHFFFAOYSA-N
MW275.22 g/mol
LogP3.38
Rot. Bonds6

About N'-[(2,3-dichlorophenyl)methyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine

N'-[(2,3-dichlorophenyl)methyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine (PubChem CID 782424) has the molecular formula C13H20Cl2N2 and a molecular weight of 275.22 g/mol. Its IUPAC name is N'-[(2,3-dichlorophenyl)methyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2,3-dichlorophenyl)methyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine
PubChem CID782424
Molecular FormulaC13H20Cl2N2
Molecular Weight275.22 g/mol
Exact Mass274.10
IUPAC NameN'-[(2,3-dichlorophenyl)methyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine
SMILESCCN(CCN(C)C)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C13H20Cl2N2/c1-4-17(9-8-16(2)3)10-11-6-5-7-12(14)13(11)15/h5-7H,4,8-10H2,1-3H3
InChIKeySLAFWKSYSITCAU-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-[(2,3-dichlorophenyl)methyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-[(2,3-dichlorophenyl)methyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine (CID 782424) is N'-[(2,3-dichlorophenyl)methyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(2,3-dichlorophenyl)methyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[(2,3-dichlorophenyl)methyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine is CCN(CCN(C)C)Cc1cccc(Cl)c1Cl.
What is the InChIKey of N'-[(2,3-dichlorophenyl)methyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine?
The InChIKey is SLAFWKSYSITCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2/c1-4-17(9-8-16(2)3)10-11-6-5-7-12(14)13(11)15/h5-7H,4,8-10H2,1-3H3.
What are the key properties of N'-[(2,3-dichlorophenyl)methyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine?
N'-[(2,3-dichlorophenyl)methyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine has a molecular weight of 275.22 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,3-dichlorophenyl)methyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 782424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).