2-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine

C15H16FNO — CID 63802270

IUPAC2-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine
SMILESCc1cccc(Oc2ccc(CCN)cc2F)c1
InChIInChI=1S/C15H16FNO/c1-11-3-2-4-13(9-11)18-15-6-5-12(7-8-17)10-14(15)16/h2-6,9-10H,7-8,17H2,1H3
InChIKeyHSJFZAHNRDFOFZ-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.43
Rot. Bonds4

About 2-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine

2-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine (PubChem CID 63802270) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine
PubChem CID63802270
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name2-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine
SMILESCc1cccc(Oc2ccc(CCN)cc2F)c1
InChIInChI=1S/C15H16FNO/c1-11-3-2-4-13(9-11)18-15-6-5-12(7-8-17)10-14(15)16/h2-6,9-10H,7-8,17H2,1H3
InChIKeyHSJFZAHNRDFOFZ-UHFFFAOYSA-N
XLogP3.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(bromomethyl)-2-fluoro-1-(3-methylphenoxy)benzene
CID 107087025
2-[4-(3-chlorophenoxy)-3-fluorophenyl]ethanamine
CID 55238186
2-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanamine
CID 107171074
[3-fluoro-4-(3-fluorophenoxy)phenyl]methanamine
CID 28966240
1-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine
CID 43189188
2-[3-fluoro-4-(3-fluorophenoxy)phenyl]ethanol
CID 71240329
2-[3-(2-methylphenoxy)phenyl]ethanamine
CID 63942545
[2-fluoro-6-(3-methylphenoxy)phenyl]methanol
CID 114065347
2-[4-(2-ethoxyphenoxy)-3-fluorophenyl]ethanamine
CID 63817515
2-[3-(4-chloro-2-methylphenoxy)phenyl]ethanamine
CID 63941169
2-fluoro-1-methoxy-4-[(3-methylphenoxy)methyl]benzene
CID 60627922
2-(4-fluoro-3-phenoxyphenyl)ethanamine
CID 170887829

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine (CID 63802270) is 2-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine is Cc1cccc(Oc2ccc(CCN)cc2F)c1.
What is the InChIKey of 2-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine?
The InChIKey is HSJFZAHNRDFOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-11-3-2-4-13(9-11)18-15-6-5-12(7-8-17)10-14(15)16/h2-6,9-10H,7-8,17H2,1H3.
What are the key properties of 2-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine?
2-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine has a molecular weight of 245.30 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 63802270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).