N'-[2-(2,4-dichlorophenoxy)ethyl]-N'-methylethane-1,2-diamine

C11H16Cl2N2O — CID 62688620

IUPACN'-[2-(2,4-dichlorophenoxy)ethyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2N2O/c1-15(5-4-14)6-7-16-11-3-2-9(12)8-10(11)13/h2-3,8H,4-7,14H2,1H3
InChIKeyWYMFWFYWXMGSQO-UHFFFAOYSA-N
MW263.17 g/mol
LogP2.26
Rot. Bonds6

About N'-[2-(2,4-dichlorophenoxy)ethyl]-N'-methylethane-1,2-diamine

N'-[2-(2,4-dichlorophenoxy)ethyl]-N'-methylethane-1,2-diamine (PubChem CID 62688620) has the molecular formula C11H16Cl2N2O and a molecular weight of 263.17 g/mol. Its IUPAC name is N'-[2-(2,4-dichlorophenoxy)ethyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(2,4-dichlorophenoxy)ethyl]-N'-methylethane-1,2-diamine
PubChem CID62688620
Molecular FormulaC11H16Cl2N2O
Molecular Weight263.17 g/mol
Exact Mass262.06
IUPAC NameN'-[2-(2,4-dichlorophenoxy)ethyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2N2O/c1-15(5-4-14)6-7-16-11-3-2-9(12)8-10(11)13/h2-3,8H,4-7,14H2,1H3
InChIKeyWYMFWFYWXMGSQO-UHFFFAOYSA-N
XLogP2.26
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[2-(2,4-dichlorophenoxy)ethyl-methylamino]propanoate
CID 62012022
3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine
CID 5262075
1-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol
CID 62014390
6-(2,4-dichlorophenoxy)hexan-1-amine
CID 21467390
4-N-[2-(2,4-dichlorophenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121912
3-(2,4-dichlorophenoxy)-N-methylpropanehydrazide
CID 116820473
N'-[(3-chloro-4-ethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 98784191
3-(2,4-dichlorophenoxy)-N-methyl-N-[(E)-prop-1-enyl]propan-1-amine
CID 5327102
N'-[2-(2-fluorophenoxy)ethyl]-N'-methylethane-1,2-diamine
CID 62686273
N-[2-(2,4-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913425
2-[2-(2,4-dichlorophenoxy)ethyl-propan-2-ylamino]ethanol
CID 60691948
N-[2-(2,4-dichlorophenoxy)ethyl]-N-propylazetidin-3-amine
CID 66216702

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dichlorophenoxy)ethyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[2-(2,4-dichlorophenoxy)ethyl]-N'-methylethane-1,2-diamine (CID 62688620) is N'-[2-(2,4-dichlorophenoxy)ethyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(2,4-dichlorophenoxy)ethyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[2-(2,4-dichlorophenoxy)ethyl]-N'-methylethane-1,2-diamine is CN(CCN)CCOc1ccc(Cl)cc1Cl.
What is the InChIKey of N'-[2-(2,4-dichlorophenoxy)ethyl]-N'-methylethane-1,2-diamine?
The InChIKey is WYMFWFYWXMGSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O/c1-15(5-4-14)6-7-16-11-3-2-9(12)8-10(11)13/h2-3,8H,4-7,14H2,1H3.
What are the key properties of N'-[2-(2,4-dichlorophenoxy)ethyl]-N'-methylethane-1,2-diamine?
N'-[2-(2,4-dichlorophenoxy)ethyl]-N'-methylethane-1,2-diamine has a molecular weight of 263.17 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dichlorophenoxy)ethyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62688620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).