N'-(2,6-dichlorophenyl)-N,N-dimethyl-N'-phenylethane-1,2-diamine

C16H18Cl2N2 — CID 68797488

IUPACN'-(2,6-dichlorophenyl)-N,N-dimethyl-N'-phenylethane-1,2-diamine
SMILESCN(C)CCN(c1ccccc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H18Cl2N2/c1-19(2)11-12-20(13-7-4-3-5-8-13)16-14(17)9-6-10-15(16)18/h3-10H,11-12H2,1-2H3
InChIKeyQJRCHPNGGJLMIS-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.69
Rot. Bonds5

About N'-(2,6-dichlorophenyl)-N,N-dimethyl-N'-phenylethane-1,2-diamine

N'-(2,6-dichlorophenyl)-N,N-dimethyl-N'-phenylethane-1,2-diamine (PubChem CID 68797488) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is N'-(2,6-dichlorophenyl)-N,N-dimethyl-N'-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,6-dichlorophenyl)-N,N-dimethyl-N'-phenylethane-1,2-diamine
PubChem CID68797488
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC NameN'-(2,6-dichlorophenyl)-N,N-dimethyl-N'-phenylethane-1,2-diamine
SMILESCN(C)CCN(c1ccccc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H18Cl2N2/c1-19(2)11-12-20(13-7-4-3-5-8-13)16-14(17)9-6-10-15(16)18/h3-10H,11-12H2,1-2H3
InChIKeyQJRCHPNGGJLMIS-UHFFFAOYSA-N
XLogP4.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N,N,N'-trimethyl-N'-phenylethane-1,2-diamine
CID 177320801
N,N,N'-trimethyl-N'-[2-(N-methylanilino)ethyl]ethane-1,2-diamine
CID 70599954
3-chloro-1-N-ethyl-1-N-phenylbenzene-1,2-diamine
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N'-benzyl-N'-[(2,3-dichlorophenyl)methyl]-N,N-dimethylethane-1,2-diamine
CID 20628585
3-chloro-2-(chloromethyl)-N-ethyl-N-phenylaniline
CID 28946393
N'-[2-chloro-6-(chloromethyl)phenyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 114067768
N-[2-(dimethylamino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 119867193
2-chloro-N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-(2,6-dichlorophenyl)acetamide
CID 169436235
2-(2,6-dichloroanilino)-N-methyl-N-phenylacetamide
CID 109007260
2,6-dichloro-N-cyclopropyl-N-methylaniline
CID 54252168
N-butyl-3-chloro-N-phenylaniline
CID 23348476
3-[(2-chlorobenzoyl)-[2-(dimethylamino)ethyl]amino]propanoic acid
CID 82325321

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dichlorophenyl)-N,N-dimethyl-N'-phenylethane-1,2-diamine?
The IUPAC name of N'-(2,6-dichlorophenyl)-N,N-dimethyl-N'-phenylethane-1,2-diamine (CID 68797488) is N'-(2,6-dichlorophenyl)-N,N-dimethyl-N'-phenylethane-1,2-diamine.
What is the SMILES notation for N'-(2,6-dichlorophenyl)-N,N-dimethyl-N'-phenylethane-1,2-diamine?
The canonical SMILES for N'-(2,6-dichlorophenyl)-N,N-dimethyl-N'-phenylethane-1,2-diamine is CN(C)CCN(c1ccccc1)c1c(Cl)cccc1Cl.
What is the InChIKey of N'-(2,6-dichlorophenyl)-N,N-dimethyl-N'-phenylethane-1,2-diamine?
The InChIKey is QJRCHPNGGJLMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c1-19(2)11-12-20(13-7-4-3-5-8-13)16-14(17)9-6-10-15(16)18/h3-10H,11-12H2,1-2H3.
What are the key properties of N'-(2,6-dichlorophenyl)-N,N-dimethyl-N'-phenylethane-1,2-diamine?
N'-(2,6-dichlorophenyl)-N,N-dimethyl-N'-phenylethane-1,2-diamine has a molecular weight of 309.24 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dichlorophenyl)-N,N-dimethyl-N'-phenylethane-1,2-diamine is sourced from PubChem (CID 68797488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).