1-[4-(2,5-dichlorophenoxy)phenyl]-N-methylethanamine

C15H15Cl2NO — CID 43285303

IUPAC1-[4-(2,5-dichlorophenoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Oc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C15H15Cl2NO/c1-10(18-2)11-3-6-13(7-4-11)19-15-9-12(16)5-8-14(15)17/h3-10,18H,1-2H3
InChIKeyKOOAUGNGJSAHQT-UHFFFAOYSA-N
MW296.20 g/mol
LogP5.07
Rot. Bonds4

About 1-[4-(2,5-dichlorophenoxy)phenyl]-N-methylethanamine

1-[4-(2,5-dichlorophenoxy)phenyl]-N-methylethanamine (PubChem CID 43285303) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 1-[4-(2,5-dichlorophenoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-(2,5-dichlorophenoxy)phenyl]-N-methylethanamine
PubChem CID43285303
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name1-[4-(2,5-dichlorophenoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Oc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C15H15Cl2NO/c1-10(18-2)11-3-6-13(7-4-11)19-15-9-12(16)5-8-14(15)17/h3-10,18H,1-2H3
InChIKeyKOOAUGNGJSAHQT-UHFFFAOYSA-N
XLogP5.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.20
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[4-(2,4,5-trichlorophenoxy)phenyl]ethanamine
CID 43285096
1-[4-(4-chlorophenoxy)-3-fluorophenyl]-N-methylethanamine
CID 43285448
1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]-N-methylethanamine
CID 63878644
1-[4-(3,4-difluorophenoxy)phenyl]-N-methylethanamine
CID 43554825
1-[3-chloro-4-(4-ethoxyphenoxy)phenyl]-N-methylethanamine
CID 62912758
1-[4-(4-bromo-2-propan-2-ylphenoxy)phenyl]-N-methylethanamine
CID 115402371
1-[4-(3-chlorophenoxy)-3-fluorophenyl]-N-methylethanamine
CID 43285582
1-[4-(2,3-difluorophenoxy)phenyl]-N-methylethanamine
CID 63036952
1-[3-(2,5-dichlorophenoxy)phenyl]-N-ethylethanamine
CID 79170877
(1S)-N-methyl-1-(4-phenoxyphenyl)ethanamine
CID 67664030
4-(2,5-dichlorophenoxy)-2-methylaniline
CID 43436377
1-[3-fluoro-4-(4-methylphenoxy)phenyl]-N-methylethanamine
CID 43285113

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dichlorophenoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[4-(2,5-dichlorophenoxy)phenyl]-N-methylethanamine (CID 43285303) is 1-[4-(2,5-dichlorophenoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-(2,5-dichlorophenoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-(2,5-dichlorophenoxy)phenyl]-N-methylethanamine is CNC(C)c1ccc(Oc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 1-[4-(2,5-dichlorophenoxy)phenyl]-N-methylethanamine?
The InChIKey is KOOAUGNGJSAHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-10(18-2)11-3-6-13(7-4-11)19-15-9-12(16)5-8-14(15)17/h3-10,18H,1-2H3.
What are the key properties of 1-[4-(2,5-dichlorophenoxy)phenyl]-N-methylethanamine?
1-[4-(2,5-dichlorophenoxy)phenyl]-N-methylethanamine has a molecular weight of 296.20 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dichlorophenoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 43285303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).