1-[2-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylethanamine

C17H19ClFNO — CID 43285261

IUPAC1-[2-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1cc(F)ccc1Oc1c(C)cc(Cl)cc1C
InChIInChI=1S/C17H19ClFNO/c1-10-7-13(18)8-11(2)17(10)21-16-6-5-14(19)9-15(16)12(3)20-4/h5-9,12,20H,1-4H3
InChIKeyMHRMLGDFLKXORV-UHFFFAOYSA-N
MW307.80 g/mol
LogP5.17
Rot. Bonds4

About 1-[2-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylethanamine

1-[2-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylethanamine (PubChem CID 43285261) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 1-[2-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylethanamine
PubChem CID43285261
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name1-[2-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1cc(F)ccc1Oc1c(C)cc(Cl)cc1C
InChIInChI=1S/C17H19ClFNO/c1-10-7-13(18)8-11(2)17(10)21-16-6-5-14(19)9-15(16)12(3)20-4/h5-9,12,20H,1-4H3
InChIKeyMHRMLGDFLKXORV-UHFFFAOYSA-N
XLogP5.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.80
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]-N-methylethanamine
CID 43286017
1-[4-(4-chloro-2,6-dimethylphenoxy)-3-fluorophenyl]-N-methylethanamine
CID 43285262
1-[5-fluoro-2-(3-fluoro-4-methylphenoxy)phenyl]-N-methylethanamine
CID 107169524
(1R)-1-[2-(4-chloro-2-methylphenoxy)-5-fluorophenyl]ethanamine
CID 29275289
1-[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]-N-methylethanamine
CID 65126033
3-fluoro-4-[4-fluoro-2-[1-(methylamino)ethyl]phenoxy]benzonitrile
CID 107665492
1-[5-fluoro-2-(2,3,6-trimethylphenoxy)phenyl]ethanol
CID 43506596
1-[5-bromo-2-(3,5-dichlorophenoxy)phenyl]-N-methylethanamine
CID 82976164
1-[2-(1,3-benzodioxol-5-yloxy)-5-fluorophenyl]-N-methylethanamine
CID 43284922
1-(5-fluoro-2-pentoxyphenyl)-N-methylethanamine
CID 43286049
(1S)-1-[4-(4-chloro-2,6-dimethylphenoxy)-3-fluorophenyl]ethanol
CID 78944746
(1S)-1-[2-(4-chloro-2,6-dimethylphenoxy)-6-fluorophenyl]ethanol
CID 78944675

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylethanamine?
The IUPAC name of 1-[2-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylethanamine (CID 43285261) is 1-[2-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylethanamine is CNC(C)c1cc(F)ccc1Oc1c(C)cc(Cl)cc1C.
What is the InChIKey of 1-[2-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylethanamine?
The InChIKey is MHRMLGDFLKXORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-10-7-13(18)8-11(2)17(10)21-16-6-5-14(19)9-15(16)12(3)20-4/h5-9,12,20H,1-4H3.
What are the key properties of 1-[2-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylethanamine?
1-[2-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylethanamine has a molecular weight of 307.80 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylethanamine is sourced from PubChem (CID 43285261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).