1-[4-(4-chloro-2,6-dimethylphenoxy)-3-fluorophenyl]-N-methylethanamine

C17H19ClFNO — CID 43285262

IUPAC1-[4-(4-chloro-2,6-dimethylphenoxy)-3-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Oc2c(C)cc(Cl)cc2C)c(F)c1
InChIInChI=1S/C17H19ClFNO/c1-10-7-14(18)8-11(2)17(10)21-16-6-5-13(9-15(16)19)12(3)20-4/h5-9,12,20H,1-4H3
InChIKeyVMTZVBDFFVPNSS-UHFFFAOYSA-N
MW307.80 g/mol
LogP5.17
Rot. Bonds4

About 1-[4-(4-chloro-2,6-dimethylphenoxy)-3-fluorophenyl]-N-methylethanamine

1-[4-(4-chloro-2,6-dimethylphenoxy)-3-fluorophenyl]-N-methylethanamine (PubChem CID 43285262) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 1-[4-(4-chloro-2,6-dimethylphenoxy)-3-fluorophenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-(4-chloro-2,6-dimethylphenoxy)-3-fluorophenyl]-N-methylethanamine
PubChem CID43285262
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name1-[4-(4-chloro-2,6-dimethylphenoxy)-3-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Oc2c(C)cc(Cl)cc2C)c(F)c1
InChIInChI=1S/C17H19ClFNO/c1-10-7-14(18)8-11(2)17(10)21-16-6-5-13(9-15(16)19)12(3)20-4/h5-9,12,20H,1-4H3
InChIKeyVMTZVBDFFVPNSS-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

(1S)-1-[4-(4-chloro-2,6-dimethylphenoxy)-3-fluorophenyl]ethanol
CID 78944746
1-[4-(4-chlorophenoxy)-3-fluorophenyl]-N-methylethanamine
CID 43285448
1-[2-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylethanamine
CID 43285261
1-[4-(3-chlorophenoxy)-3-fluorophenyl]-N-methylethanamine
CID 43285582
1-[4-(2-chloro-4-fluorophenoxy)-3-fluorophenyl]-N-methylethanamine
CID 60966128
1-[3-fluoro-4-(4-methylphenoxy)phenyl]-N-methylethanamine
CID 43285113
1-[3-chloro-4-(2,3,6-trimethylphenoxy)phenyl]-N-methylethanamine
CID 63533324
1-[3-fluoro-4-(3-methylphenoxy)phenyl]-N-methylethanamine
CID 43285499
4-(4-chloro-2,6-dimethylphenoxy)-3-fluorobenzaldehyde
CID 29272244
1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-N-methylethanamine
CID 43285605
1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]-N-methylethanamine
CID 63878644
1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylethanamine
CID 63269825

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-2,6-dimethylphenoxy)-3-fluorophenyl]-N-methylethanamine?
The IUPAC name of 1-[4-(4-chloro-2,6-dimethylphenoxy)-3-fluorophenyl]-N-methylethanamine (CID 43285262) is 1-[4-(4-chloro-2,6-dimethylphenoxy)-3-fluorophenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-(4-chloro-2,6-dimethylphenoxy)-3-fluorophenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-(4-chloro-2,6-dimethylphenoxy)-3-fluorophenyl]-N-methylethanamine is CNC(C)c1ccc(Oc2c(C)cc(Cl)cc2C)c(F)c1.
What is the InChIKey of 1-[4-(4-chloro-2,6-dimethylphenoxy)-3-fluorophenyl]-N-methylethanamine?
The InChIKey is VMTZVBDFFVPNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-10-7-14(18)8-11(2)17(10)21-16-6-5-13(9-15(16)19)12(3)20-4/h5-9,12,20H,1-4H3.
What are the key properties of 1-[4-(4-chloro-2,6-dimethylphenoxy)-3-fluorophenyl]-N-methylethanamine?
1-[4-(4-chloro-2,6-dimethylphenoxy)-3-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-[4-(4-chloro-2,6-dimethylphenoxy)-3-fluorophenyl]-N-methylethanamine is sourced from PubChem (CID 43285262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).