N'-[(2,6-dichlorophenyl)methyl]-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine

C20H26Cl2N2 — CID 70827284

IUPACN'-[(2,6-dichlorophenyl)methyl]-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine
SMILESCCc1cccc(CN(CCN(C)C)Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C20H26Cl2N2/c1-4-16-7-5-8-17(13-16)14-24(12-11-23(2)3)15-18-19(21)9-6-10-20(18)22/h5-10,13H,4,11-12,14-15H2,1-3H3
InChIKeyVWMRSERHYUYOJG-UHFFFAOYSA-N
MW365.35 g/mol
LogP5.12
Rot. Bonds8

About N'-[(2,6-dichlorophenyl)methyl]-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine

N'-[(2,6-dichlorophenyl)methyl]-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine (PubChem CID 70827284) has the molecular formula C20H26Cl2N2 and a molecular weight of 365.35 g/mol. Its IUPAC name is N'-[(2,6-dichlorophenyl)methyl]-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2,6-dichlorophenyl)methyl]-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine
PubChem CID70827284
Molecular FormulaC20H26Cl2N2
Molecular Weight365.35 g/mol
Exact Mass364.15
IUPAC NameN'-[(2,6-dichlorophenyl)methyl]-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine
SMILESCCc1cccc(CN(CCN(C)C)Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C20H26Cl2N2/c1-4-16-7-5-8-17(13-16)14-24(12-11-23(2)3)15-18-19(21)9-6-10-20(18)22/h5-10,13H,4,11-12,14-15H2,1-3H3
InChIKeyVWMRSERHYUYOJG-UHFFFAOYSA-N
XLogP5.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.35
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N'-[(2,6-dichlorophenyl)methyl]-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine with MolForge

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Related Compounds

N'-benzyl-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine;butane;ethane
CID 143170387
1-[(2,6-dichlorophenyl)methyl]-1-[(3-ethylphenyl)methyl]-2,2-dimethylhydrazine;ethane
CID 143170234
butane;2-[[2-(dimethylamino)ethyl-[(3-ethylphenyl)methyl]amino]methyl]-3-fluorophenol;ethane
CID 143170289
N'-[(3-ethylphenyl)methyl]-N,N-dimethyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 70827105
N'-[(3-ethylphenyl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 70827126
2-[[2-(dimethylamino)ethyl-[(3-ethylphenyl)methyl]amino]methyl]benzonitrile;ethane
CID 143170148
ethane;N'-[(3-ethylphenyl)methyl]-N'-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine;2-methylpropane
CID 143169679
N'-(cyclohexen-1-ylmethyl)-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine;ethane
CID 143169947
N'-benzyl-N'-[(2,3-dichlorophenyl)methyl]-N,N-dimethylethane-1,2-diamine
CID 20628585
2-(3-ethylphenyl)-N,N-dimethylethanamine
CID 68500116
N'-[(2-ethylphenyl)methyl]-N,N-dimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 70827104
2-[benzyl-[(2,6-dichlorophenyl)methyl]amino]ethanol
CID 6456340

Frequently Asked Questions

What is the IUPAC name of N'-[(2,6-dichlorophenyl)methyl]-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-[(2,6-dichlorophenyl)methyl]-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine (CID 70827284) is N'-[(2,6-dichlorophenyl)methyl]-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(2,6-dichlorophenyl)methyl]-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[(2,6-dichlorophenyl)methyl]-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine is CCc1cccc(CN(CCN(C)C)Cc2c(Cl)cccc2Cl)c1.
What is the InChIKey of N'-[(2,6-dichlorophenyl)methyl]-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine?
The InChIKey is VWMRSERHYUYOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Cl2N2/c1-4-16-7-5-8-17(13-16)14-24(12-11-23(2)3)15-18-19(21)9-6-10-20(18)22/h5-10,13H,4,11-12,14-15H2,1-3H3.
What are the key properties of N'-[(2,6-dichlorophenyl)methyl]-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine?
N'-[(2,6-dichlorophenyl)methyl]-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine has a molecular weight of 365.35 g/mol, XLogP of 5.12, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,6-dichlorophenyl)methyl]-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 70827284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).