1-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine

C15H16FNO — CID 43189188

IUPAC1-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine
SMILESCc1cccc(Oc2ccc(C(C)N)cc2F)c1
InChIInChI=1S/C15H16FNO/c1-10-4-3-5-13(8-10)18-15-7-6-12(11(2)17)9-14(15)16/h3-9,11H,17H2,1-2H3
InChIKeyJYJSRKNCULLNLX-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.95
Rot. Bonds3

About 1-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine

1-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine (PubChem CID 43189188) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine
PubChem CID43189188
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name1-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine
SMILESCc1cccc(Oc2ccc(C(C)N)cc2F)c1
InChIInChI=1S/C15H16FNO/c1-10-4-3-5-13(8-10)18-15-7-6-12(11(2)17)9-14(15)16/h3-9,11H,17H2,1-2H3
InChIKeyJYJSRKNCULLNLX-UHFFFAOYSA-N
XLogP3.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-fluoro-4-(3-methylphenoxy)phenyl]-N-methylethanamine
CID 43285499
3-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]-N,N-dimethylaniline
CID 63369861
3-[4-(1-aminoethyl)-2-fluorophenoxy]-N,N-dimethylaniline
CID 61229681
3-[4-[(1S)-1-aminoethyl]-2-fluorophenoxy]-N,N-dimethylaniline
CID 78938248
1-[3-(2-fluoro-5-methylphenoxy)phenyl]ethanamine
CID 79167584
(1S)-1-[4-(4-bromo-3,5-dimethylphenoxy)-3-fluorophenyl]ethanamine
CID 107724826
(1R)-1-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]ethanamine
CID 55183896
2-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine
CID 63802270
(1R)-1-[4-(3-chloro-2-fluorophenoxy)-3-fluorophenyl]ethanamine
CID 104892667
1-[4-(2,3-dichlorophenoxy)-3-fluorophenyl]ethanamine
CID 43106357
(1S)-1-[3-fluoro-4-(3-methyl-2-nitrophenoxy)phenyl]ethanamine
CID 78937884
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine?
The IUPAC name of 1-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine (CID 43189188) is 1-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine?
The canonical SMILES for 1-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine is Cc1cccc(Oc2ccc(C(C)N)cc2F)c1.
What is the InChIKey of 1-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine?
The InChIKey is JYJSRKNCULLNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-10-4-3-5-13(8-10)18-15-7-6-12(11(2)17)9-14(15)16/h3-9,11H,17H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine?
1-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine has a molecular weight of 245.30 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 43189188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).