2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine

C12H18Cl2N2O — CID 43515683

IUPAC2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine
SMILESCNCc1cc(Cl)cc(Cl)c1OCCN(C)C
InChIInChI=1S/C12H18Cl2N2O/c1-15-8-9-6-10(13)7-11(14)12(9)17-5-4-16(2)3/h6-7,15H,4-5,8H2,1-3H3
InChIKeyUENJQPODLWLCGW-UHFFFAOYSA-N
MW277.19 g/mol
LogP2.65
Rot. Bonds6

About 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine

2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine (PubChem CID 43515683) has the molecular formula C12H18Cl2N2O and a molecular weight of 277.19 g/mol. Its IUPAC name is 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine
PubChem CID43515683
Molecular FormulaC12H18Cl2N2O
Molecular Weight277.19 g/mol
Exact Mass276.08
IUPAC Name2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine
SMILESCNCc1cc(Cl)cc(Cl)c1OCCN(C)C
InChIInChI=1S/C12H18Cl2N2O/c1-15-8-9-6-10(13)7-11(14)12(9)17-5-4-16(2)3/h6-7,15H,4-5,8H2,1-3H3
InChIKeyUENJQPODLWLCGW-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylpropanamide
CID 54879135
1-(3,5-dichloro-2-heptoxyphenyl)-N-methylmethanamine
CID 43515702
1-[3,5-dichloro-2-[2-(2-methylpropoxy)ethoxy]phenyl]-N-methylmethanamine
CID 106449933
1-[3,5-dichloro-2-(ethoxymethoxy)phenyl]-N-methylmethanamine
CID 65369787
N-[[3,5-dichloro-2-(3-fluoropropoxy)phenyl]methyl]ethanamine
CID 81107142
1-[3,5-dichloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 63500645
2-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-N,N-dimethylethanamine
CID 104664745
1-[3,5-dichloro-2-(2,3-dichloroprop-2-enoxy)phenyl]-N-methylmethanamine
CID 79168378
N-[(3,5-dichloro-2-propoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 29241701
N-[[3,5-dichloro-2-(3,3,3-trifluoropropoxy)phenyl]methyl]ethanamine
CID 64552689
1-[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 63499190
N-[(3,5-dichloro-2-pentoxyphenyl)methyl]propan-1-amine
CID 43515784

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine (CID 43515683) is 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine is CNCc1cc(Cl)cc(Cl)c1OCCN(C)C.
What is the InChIKey of 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine?
The InChIKey is UENJQPODLWLCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O/c1-15-8-9-6-10(13)7-11(14)12(9)17-5-4-16(2)3/h6-7,15H,4-5,8H2,1-3H3.
What are the key properties of 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine?
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine has a molecular weight of 277.19 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 43515683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).