1-[4-(3-chlorophenoxy)-3-fluorophenyl]-N-methylethanamine

C15H15ClFNO — CID 43285582

IUPAC1-[4-(3-chlorophenoxy)-3-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Oc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C15H15ClFNO/c1-10(18-2)11-6-7-15(14(17)8-11)19-13-5-3-4-12(16)9-13/h3-10,18H,1-2H3
InChIKeyMSQBKQPRQARENP-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.55
Rot. Bonds4

About 1-[4-(3-chlorophenoxy)-3-fluorophenyl]-N-methylethanamine

1-[4-(3-chlorophenoxy)-3-fluorophenyl]-N-methylethanamine (PubChem CID 43285582) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 1-[4-(3-chlorophenoxy)-3-fluorophenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-(3-chlorophenoxy)-3-fluorophenyl]-N-methylethanamine
PubChem CID43285582
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name1-[4-(3-chlorophenoxy)-3-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Oc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C15H15ClFNO/c1-10(18-2)11-6-7-15(14(17)8-11)19-13-5-3-4-12(16)9-13/h3-10,18H,1-2H3
InChIKeyMSQBKQPRQARENP-UHFFFAOYSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-chlorophenoxy)-3-fluorophenyl]-N-methylethanamine
CID 43285448
1-[3-fluoro-4-(3-methylphenoxy)phenyl]-N-methylethanamine
CID 43285499
1-[3-fluoro-4-(4-methylphenoxy)phenyl]-N-methylethanamine
CID 43285113
1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]-N-methylethanamine
CID 63878644
1-[4-(4-chloro-2,6-dimethylphenoxy)-3-fluorophenyl]-N-methylethanamine
CID 43285262
1-[4-(2-chloro-4-fluorophenoxy)-3-fluorophenyl]-N-methylethanamine
CID 60966128
1-[3-chloro-4-(3-methylphenoxy)phenyl]-N-methylethanamine
CID 62912068
1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-N-methylethanamine
CID 43285605
1-[3-fluoro-4-(4-propylphenoxy)phenyl]-N-methylethanamine
CID 63534051
N-[[4-(3-chlorophenoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 63552934
1-[4-(2,5-dichlorophenoxy)phenyl]-N-methylethanamine
CID 43285303
N-methyl-1-[3-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 79170154

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenoxy)-3-fluorophenyl]-N-methylethanamine?
The IUPAC name of 1-[4-(3-chlorophenoxy)-3-fluorophenyl]-N-methylethanamine (CID 43285582) is 1-[4-(3-chlorophenoxy)-3-fluorophenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-(3-chlorophenoxy)-3-fluorophenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-(3-chlorophenoxy)-3-fluorophenyl]-N-methylethanamine is CNC(C)c1ccc(Oc2cccc(Cl)c2)c(F)c1.
What is the InChIKey of 1-[4-(3-chlorophenoxy)-3-fluorophenyl]-N-methylethanamine?
The InChIKey is MSQBKQPRQARENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-10(18-2)11-6-7-15(14(17)8-11)19-13-5-3-4-12(16)9-13/h3-10,18H,1-2H3.
What are the key properties of 1-[4-(3-chlorophenoxy)-3-fluorophenyl]-N-methylethanamine?
1-[4-(3-chlorophenoxy)-3-fluorophenyl]-N-methylethanamine has a molecular weight of 279.74 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenoxy)-3-fluorophenyl]-N-methylethanamine is sourced from PubChem (CID 43285582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).