N',N'-dimethyl-N-(2,4,6-trichlorophenyl)ethane-1,2-diamine

C10H13Cl3N2 — CID 28992756

IUPACN',N'-dimethyl-N-(2,4,6-trichlorophenyl)ethane-1,2-diamine
SMILESCN(C)CCNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C10H13Cl3N2/c1-15(2)4-3-14-10-8(12)5-7(11)6-9(10)13/h5-6,14H,3-4H2,1-2H3
InChIKeyKNSNOICEGIFLLI-UHFFFAOYSA-N
MW267.59 g/mol
LogP3.62
Rot. Bonds4

About N',N'-dimethyl-N-(2,4,6-trichlorophenyl)ethane-1,2-diamine

N',N'-dimethyl-N-(2,4,6-trichlorophenyl)ethane-1,2-diamine (PubChem CID 28992756) has the molecular formula C10H13Cl3N2 and a molecular weight of 267.59 g/mol. Its IUPAC name is N',N'-dimethyl-N-(2,4,6-trichlorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(2,4,6-trichlorophenyl)ethane-1,2-diamine
PubChem CID28992756
Molecular FormulaC10H13Cl3N2
Molecular Weight267.59 g/mol
Exact Mass266.01
IUPAC NameN',N'-dimethyl-N-(2,4,6-trichlorophenyl)ethane-1,2-diamine
SMILESCN(C)CCNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C10H13Cl3N2/c1-15(2)4-3-14-10-8(12)5-7(11)6-9(10)13/h5-6,14H,3-4H2,1-2H3
InChIKeyKNSNOICEGIFLLI-UHFFFAOYSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.59
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(2,4,6-trichlorophenyl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(2,4,6-trichlorophenyl)ethane-1,2-diamine (CID 28992756) is N',N'-dimethyl-N-(2,4,6-trichlorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(2,4,6-trichlorophenyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(2,4,6-trichlorophenyl)ethane-1,2-diamine is CN(C)CCNc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of N',N'-dimethyl-N-(2,4,6-trichlorophenyl)ethane-1,2-diamine?
The InChIKey is KNSNOICEGIFLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl3N2/c1-15(2)4-3-14-10-8(12)5-7(11)6-9(10)13/h5-6,14H,3-4H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-(2,4,6-trichlorophenyl)ethane-1,2-diamine?
N',N'-dimethyl-N-(2,4,6-trichlorophenyl)ethane-1,2-diamine has a molecular weight of 267.59 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(2,4,6-trichlorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 28992756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).