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

C18H22Cl2N2 — CID 20628585

IUPACN'-benzyl-N'-[(2,3-dichlorophenyl)methyl]-N,N-dimethylethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccccc1)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C18H22Cl2N2/c1-21(2)11-12-22(13-15-7-4-3-5-8-15)14-16-9-6-10-17(19)18(16)20/h3-10H,11-14H2,1-2H3
InChIKeyKGIBLOMYBKNRFW-UHFFFAOYSA-N
MW337.29 g/mol
LogP4.56
Rot. Bonds7

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

N'-benzyl-N'-[(2,3-dichlorophenyl)methyl]-N,N-dimethylethane-1,2-diamine (PubChem CID 20628585) has the molecular formula C18H22Cl2N2 and a molecular weight of 337.29 g/mol. Its IUPAC name is N'-benzyl-N'-[(2,3-dichlorophenyl)methyl]-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-[(2,3-dichlorophenyl)methyl]-N,N-dimethylethane-1,2-diamine
PubChem CID20628585
Molecular FormulaC18H22Cl2N2
Molecular Weight337.29 g/mol
Exact Mass336.12
IUPAC NameN'-benzyl-N'-[(2,3-dichlorophenyl)methyl]-N,N-dimethylethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccccc1)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C18H22Cl2N2/c1-21(2)11-12-22(13-15-7-4-3-5-8-15)14-16-9-6-10-17(19)18(16)20/h3-10H,11-14H2,1-2H3
InChIKeyKGIBLOMYBKNRFW-UHFFFAOYSA-N
XLogP4.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[(2,3-dichlorophenyl)methyl]-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-[(2,3-dichlorophenyl)methyl]-N,N-dimethylethane-1,2-diamine (CID 20628585) is N'-benzyl-N'-[(2,3-dichlorophenyl)methyl]-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-[(2,3-dichlorophenyl)methyl]-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-[(2,3-dichlorophenyl)methyl]-N,N-dimethylethane-1,2-diamine is CN(C)CCN(Cc1ccccc1)Cc1cccc(Cl)c1Cl.
What is the InChIKey of N'-benzyl-N'-[(2,3-dichlorophenyl)methyl]-N,N-dimethylethane-1,2-diamine?
The InChIKey is KGIBLOMYBKNRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N2/c1-21(2)11-12-22(13-15-7-4-3-5-8-15)14-16-9-6-10-17(19)18(16)20/h3-10H,11-14H2,1-2H3.
What are the key properties of N'-benzyl-N'-[(2,3-dichlorophenyl)methyl]-N,N-dimethylethane-1,2-diamine?
N'-benzyl-N'-[(2,3-dichlorophenyl)methyl]-N,N-dimethylethane-1,2-diamine has a molecular weight of 337.29 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[(2,3-dichlorophenyl)methyl]-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 20628585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).