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

C16H18FNO2 — CID 107114137

IUPAC[3-[(3-ethoxyphenoxy)methyl]-2-fluorophenyl]methanamine
SMILESCCOc1cccc(OCc2cccc(CN)c2F)c1
InChIInChI=1S/C16H18FNO2/c1-2-19-14-7-4-8-15(9-14)20-11-13-6-3-5-12(10-18)16(13)17/h3-9H,2,10-11,18H2,1H3
InChIKeyMHGFIWPEBCTNEF-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.26
Rot. Bonds6

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

[3-[(3-ethoxyphenoxy)methyl]-2-fluorophenyl]methanamine (PubChem CID 107114137) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is [3-[(3-ethoxyphenoxy)methyl]-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-[(3-ethoxyphenoxy)methyl]-2-fluorophenyl]methanamine
PubChem CID107114137
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name[3-[(3-ethoxyphenoxy)methyl]-2-fluorophenyl]methanamine
SMILESCCOc1cccc(OCc2cccc(CN)c2F)c1
InChIInChI=1S/C16H18FNO2/c1-2-19-14-7-4-8-15(9-14)20-11-13-6-3-5-12(10-18)16(13)17/h3-9H,2,10-11,18H2,1H3
InChIKeyMHGFIWPEBCTNEF-UHFFFAOYSA-N
XLogP3.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-ethoxyphenoxy)methyl]-2-fluoroaniline
CID 107347960
[3-[(4-bromo-3-methylphenoxy)methyl]-2-fluorophenyl]methanamine
CID 107114188
2-[(3-ethoxyphenoxy)methyl]-5-fluoroaniline
CID 64768838
2-[(3-ethoxyphenoxy)methyl]-4-fluoroaniline
CID 55060895
[2-[(4-ethoxyphenoxy)methyl]phenyl]methanamine
CID 16792548
[3-[(3-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107114175
3-[(3-ethylphenoxy)methyl]-2-fluoroaniline
CID 107347892
2-[(3-ethoxyphenoxy)methyl]-4-fluorobenzenecarbothioamide
CID 64764888
[2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methanamine
CID 107114161
4-chloro-2-[(3-ethoxyphenoxy)methyl]aniline
CID 79583150
[3-[(2,5-dimethylphenoxy)methyl]-2-fluorophenyl]methanamine
CID 107114032
2-(2,3-difluorophenyl)-1-(3-ethoxyphenyl)ethanamine
CID 62606426

Frequently Asked Questions

What is the IUPAC name of [3-[(3-ethoxyphenoxy)methyl]-2-fluorophenyl]methanamine?
The IUPAC name of [3-[(3-ethoxyphenoxy)methyl]-2-fluorophenyl]methanamine (CID 107114137) is [3-[(3-ethoxyphenoxy)methyl]-2-fluorophenyl]methanamine.
What is the SMILES notation for [3-[(3-ethoxyphenoxy)methyl]-2-fluorophenyl]methanamine?
The canonical SMILES for [3-[(3-ethoxyphenoxy)methyl]-2-fluorophenyl]methanamine is CCOc1cccc(OCc2cccc(CN)c2F)c1.
What is the InChIKey of [3-[(3-ethoxyphenoxy)methyl]-2-fluorophenyl]methanamine?
The InChIKey is MHGFIWPEBCTNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-2-19-14-7-4-8-15(9-14)20-11-13-6-3-5-12(10-18)16(13)17/h3-9H,2,10-11,18H2,1H3.
What are the key properties of [3-[(3-ethoxyphenoxy)methyl]-2-fluorophenyl]methanamine?
[3-[(3-ethoxyphenoxy)methyl]-2-fluorophenyl]methanamine has a molecular weight of 275.32 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-ethoxyphenoxy)methyl]-2-fluorophenyl]methanamine is sourced from PubChem (CID 107114137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).