[4-(2-ethoxyphenoxy)-3-fluorophenyl]methanamine

C15H16FNO2 — CID 28966043

IUPAC[4-(2-ethoxyphenoxy)-3-fluorophenyl]methanamine
SMILESCCOc1ccccc1Oc1ccc(CN)cc1F
InChIInChI=1S/C15H16FNO2/c1-2-18-14-5-3-4-6-15(14)19-13-8-7-11(10-17)9-12(13)16/h3-9H,2,10,17H2,1H3
InChIKeyIRVRFFYZKNMKOW-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.48
Rot. Bonds5

About [4-(2-ethoxyphenoxy)-3-fluorophenyl]methanamine

[4-(2-ethoxyphenoxy)-3-fluorophenyl]methanamine (PubChem CID 28966043) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is [4-(2-ethoxyphenoxy)-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(2-ethoxyphenoxy)-3-fluorophenyl]methanamine
PubChem CID28966043
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name[4-(2-ethoxyphenoxy)-3-fluorophenyl]methanamine
SMILESCCOc1ccccc1Oc1ccc(CN)cc1F
InChIInChI=1S/C15H16FNO2/c1-2-18-14-5-3-4-6-15(14)19-13-8-7-11(10-17)9-12(13)16/h3-9H,2,10,17H2,1H3
InChIKeyIRVRFFYZKNMKOW-UHFFFAOYSA-N
XLogP3.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-ethoxyphenoxy)-3-fluorophenyl]ethanamine
CID 63817515
[4-(2,4-dimethylphenoxy)-3-fluorophenyl]methanamine
CID 28966023
[3,5-difluoro-4-(2-propoxyphenoxy)phenyl]methanamine
CID 63077707
4-(2-ethoxyphenoxy)-5-fluoro-2-methoxyaniline
CID 107259770
[6-(2-ethoxyphenoxy)-3-pyridinyl]methanamine
CID 16793659
[4-(2,4-dichlorophenoxy)-3-fluorophenyl]methanamine
CID 28966222
4-(bromomethyl)-2-fluoro-1-(2-methoxyphenoxy)benzene
CID 107087181
[3-fluoro-4-(3-fluorophenoxy)phenyl]methanamine
CID 28966240
[3-fluoro-4-(2-phenoxyethoxy)phenyl]methanamine
CID 28965923
[4-(3-ethylsulfanylpropoxy)-3-fluorophenyl]methanamine
CID 107686239
[3-bromo-5-(2-ethoxyphenoxy)phenyl]methanamine
CID 102814466
[3-fluoro-4-(4-methylphthalazin-1-yl)oxyphenyl]methanamine
CID 107667286

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyphenoxy)-3-fluorophenyl]methanamine?
The IUPAC name of [4-(2-ethoxyphenoxy)-3-fluorophenyl]methanamine (CID 28966043) is [4-(2-ethoxyphenoxy)-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-(2-ethoxyphenoxy)-3-fluorophenyl]methanamine?
The canonical SMILES for [4-(2-ethoxyphenoxy)-3-fluorophenyl]methanamine is CCOc1ccccc1Oc1ccc(CN)cc1F.
What is the InChIKey of [4-(2-ethoxyphenoxy)-3-fluorophenyl]methanamine?
The InChIKey is IRVRFFYZKNMKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-2-18-14-5-3-4-6-15(14)19-13-8-7-11(10-17)9-12(13)16/h3-9H,2,10,17H2,1H3.
What are the key properties of [4-(2-ethoxyphenoxy)-3-fluorophenyl]methanamine?
[4-(2-ethoxyphenoxy)-3-fluorophenyl]methanamine has a molecular weight of 261.30 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyphenoxy)-3-fluorophenyl]methanamine is sourced from PubChem (CID 28966043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).