N'-[(2,6-dichlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine

C11H16Cl2N2 — CID 43374397

IUPACN'-[(2,6-dichlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H16Cl2N2/c1-14-6-7-15(2)8-9-10(12)4-3-5-11(9)13/h3-5,14H,6-8H2,1-2H3
InChIKeyDDISJZWTIMILDN-UHFFFAOYSA-N
MW247.17 g/mol
LogP2.64
Rot. Bonds5

About N'-[(2,6-dichlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine

N'-[(2,6-dichlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 43374397) has the molecular formula C11H16Cl2N2 and a molecular weight of 247.17 g/mol. Its IUPAC name is N'-[(2,6-dichlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2,6-dichlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID43374397
Molecular FormulaC11H16Cl2N2
Molecular Weight247.17 g/mol
Exact Mass246.07
IUPAC NameN'-[(2,6-dichlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H16Cl2N2/c1-14-6-7-15(2)8-9-10(12)4-3-5-11(9)13/h3-5,14H,6-8H2,1-2H3
InChIKeyDDISJZWTIMILDN-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(2-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374414
N-[(2,6-dichlorophenyl)methyl]-N-methylethanamine
CID 60516634
N'-[[2-(2,3-dichlorophenoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride
CID 170453249
3-[(2-chloro-6-hydroxyphenyl)methyl-methylamino]propanoic acid
CID 114322202
1-(2,6-dichlorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide
CID 119973248
N'-[(3-chloro-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride
CID 120843633
2-chloro-N-[(2,6-dichlorophenyl)methyl]-N-methylpropan-1-amine
CID 63388129
1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839804
6-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904193
3-[(2,6-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 55007398
N'-[(2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374430
N'-[(2,6-dichlorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79645596

Frequently Asked Questions

What is the IUPAC name of N'-[(2,6-dichlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[(2,6-dichlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine (CID 43374397) is N'-[(2,6-dichlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(2,6-dichlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[(2,6-dichlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine is CNCCN(C)Cc1c(Cl)cccc1Cl.
What is the InChIKey of N'-[(2,6-dichlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is DDISJZWTIMILDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2/c1-14-6-7-15(2)8-9-10(12)4-3-5-11(9)13/h3-5,14H,6-8H2,1-2H3.
What are the key properties of N'-[(2,6-dichlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine?
N'-[(2,6-dichlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 247.17 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,6-dichlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 43374397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).