2-(3,4-dichlorophenoxy)-N-ethyl-N-methylethanamine;hydrochloride

C11H16Cl3NO — CID 19869527

IUPAC2-(3,4-dichlorophenoxy)-N-ethyl-N-methylethanamine;hydrochloride
SMILESCCN(C)CCOc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C11H15Cl2NO.ClH/c1-3-14(2)6-7-15-9-4-5-10(12)11(13)8-9;/h4-5,8H,3,6-7H2,1-2H3;1H
InChIKeyFGTUZHOYYYCKIW-UHFFFAOYSA-N
MW284.61 g/mol
LogP3.75
Rot. Bonds5

About 2-(3,4-dichlorophenoxy)-N-ethyl-N-methylethanamine;hydrochloride

2-(3,4-dichlorophenoxy)-N-ethyl-N-methylethanamine;hydrochloride (PubChem CID 19869527) has the molecular formula C11H16Cl3NO and a molecular weight of 284.61 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-ethyl-N-methylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-ethyl-N-methylethanamine;hydrochloride
PubChem CID19869527
Molecular FormulaC11H16Cl3NO
Molecular Weight284.61 g/mol
Exact Mass283.03
IUPAC Name2-(3,4-dichlorophenoxy)-N-ethyl-N-methylethanamine;hydrochloride
SMILESCCN(C)CCOc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C11H15Cl2NO.ClH/c1-3-14(2)6-7-15-9-4-5-10(12)11(13)8-9;/h4-5,8H,3,6-7H2,1-2H3;1H
InChIKeyFGTUZHOYYYCKIW-UHFFFAOYSA-N
XLogP3.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.61
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenoxy)-N,N-dimethylethanamine
CID 86117410
2-(3,4-dichlorophenoxy)-N-ethylethanamine
CID 6457952
2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine
CID 43263089
3-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]prop-2-yn-1-ol
CID 54970283
3-(3,4-dichlorophenoxy)propane-1-thiol
CID 79019672
3-[2-(4-chloro-3-methylphenoxy)ethyl-methylamino]propanoic acid
CID 82224188
4-(4-bromobutoxy)-1,2-dichlorobenzene
CID 18768634
4-[2-(3-bromophenoxy)ethoxy]-1,2-dichlorobenzene
CID 60626996
3-(3,4-dichlorophenoxy)propanethioamide
CID 61000629
4-(3,4-dichlorophenoxy)-1-hydroxybutan-2-one
CID 95459695
2-(3,4-dichlorophenoxy)ethyl methanesulfonate
CID 150853890
3-[2-(diethylamino)ethoxy]-6-[2-[ethyl(methyl)amino]ethoxy]xanthen-9-one
CID 142069060

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-ethyl-N-methylethanamine;hydrochloride?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-ethyl-N-methylethanamine;hydrochloride (CID 19869527) is 2-(3,4-dichlorophenoxy)-N-ethyl-N-methylethanamine;hydrochloride.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-ethyl-N-methylethanamine;hydrochloride?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-ethyl-N-methylethanamine;hydrochloride is CCN(C)CCOc1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-ethyl-N-methylethanamine;hydrochloride?
The InChIKey is FGTUZHOYYYCKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO.ClH/c1-3-14(2)6-7-15-9-4-5-10(12)11(13)8-9;/h4-5,8H,3,6-7H2,1-2H3;1H.
What are the key properties of 2-(3,4-dichlorophenoxy)-N-ethyl-N-methylethanamine;hydrochloride?
2-(3,4-dichlorophenoxy)-N-ethyl-N-methylethanamine;hydrochloride has a molecular weight of 284.61 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-ethyl-N-methylethanamine;hydrochloride is sourced from PubChem (CID 19869527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).