1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]-N-methylethanamine

C15H14Cl2FNO — CID 63878644

IUPAC1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Oc2ccc(F)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C15H14Cl2FNO/c1-9(19-2)10-3-6-15(13(17)7-10)20-11-4-5-14(18)12(16)8-11/h3-9,19H,1-2H3
InChIKeyHHUUSBRSAVPGLF-UHFFFAOYSA-N
MW314.19 g/mol
LogP5.21
Rot. Bonds4

About 1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]-N-methylethanamine

1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]-N-methylethanamine (PubChem CID 63878644) has the molecular formula C15H14Cl2FNO and a molecular weight of 314.19 g/mol. Its IUPAC name is 1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]-N-methylethanamine
PubChem CID63878644
Molecular FormulaC15H14Cl2FNO
Molecular Weight314.19 g/mol
Exact Mass313.04
IUPAC Name1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Oc2ccc(F)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C15H14Cl2FNO/c1-9(19-2)10-3-6-15(13(17)7-10)20-11-4-5-14(18)12(16)8-11/h3-9,19H,1-2H3
InChIKeyHHUUSBRSAVPGLF-UHFFFAOYSA-N
XLogP5.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.19
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]ethanol
CID 78952850
1-[4-(4-chlorophenoxy)-3-fluorophenyl]-N-methylethanamine
CID 43285448
1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylethanamine
CID 63269825
1-[3-chloro-4-(3-methylphenoxy)phenyl]-N-methylethanamine
CID 62912068
1-[3-chloro-4-(4-ethoxyphenoxy)phenyl]-N-methylethanamine
CID 62912758
1-[4-(3-chlorophenoxy)-3-fluorophenyl]-N-methylethanamine
CID 43285582
1-[4-(2-chloro-4-fluorophenoxy)-3-fluorophenyl]-N-methylethanamine
CID 60966128
1-[4-(5-bromo-2,3-difluorophenoxy)-3-chlorophenyl]-N-methylethanamine
CID 107099972
1-(3-chloro-4-pyridin-3-yloxyphenyl)-N-methylethanamine
CID 62912252
1-[4-(2,5-dichlorophenoxy)phenyl]-N-methylethanamine
CID 43285303
N-methyl-1-[4-(2,4,5-trichlorophenoxy)phenyl]ethanamine
CID 43285096
1-[3-fluoro-4-(4-methylphenoxy)phenyl]-N-methylethanamine
CID 43285113

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]-N-methylethanamine (CID 63878644) is 1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]-N-methylethanamine is CNC(C)c1ccc(Oc2ccc(F)c(Cl)c2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]-N-methylethanamine?
The InChIKey is HHUUSBRSAVPGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO/c1-9(19-2)10-3-6-15(13(17)7-10)20-11-4-5-14(18)12(16)8-11/h3-9,19H,1-2H3.
What are the key properties of 1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]-N-methylethanamine?
1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]-N-methylethanamine has a molecular weight of 314.19 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 63878644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).