[3-[(2-ethylphenoxy)methyl]-4-fluorophenyl]methanamine

C16H18FNO — CID 43364228

IUPAC[3-[(2-ethylphenoxy)methyl]-4-fluorophenyl]methanamine
SMILESCCc1ccccc1OCc1cc(CN)ccc1F
InChIInChI=1S/C16H18FNO/c1-2-13-5-3-4-6-16(13)19-11-14-9-12(10-18)7-8-15(14)17/h3-9H,2,10-11,18H2,1H3
InChIKeyDXGXDPZVFFGRFT-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.43
Rot. Bonds5

About [3-[(2-ethylphenoxy)methyl]-4-fluorophenyl]methanamine

[3-[(2-ethylphenoxy)methyl]-4-fluorophenyl]methanamine (PubChem CID 43364228) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is [3-[(2-ethylphenoxy)methyl]-4-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-[(2-ethylphenoxy)methyl]-4-fluorophenyl]methanamine
PubChem CID43364228
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name[3-[(2-ethylphenoxy)methyl]-4-fluorophenyl]methanamine
SMILESCCc1ccccc1OCc1cc(CN)ccc1F
InChIInChI=1S/C16H18FNO/c1-2-13-5-3-4-6-16(13)19-11-14-9-12(10-18)7-8-15(14)17/h3-9H,2,10-11,18H2,1H3
InChIKeyDXGXDPZVFFGRFT-UHFFFAOYSA-N
XLogP3.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-fluoro-3-[(2-fluoro-3-methylphenoxy)methyl]phenyl]methanamine
CID 107656549
[3-[(2,5-difluorophenoxy)methyl]-4-fluorophenyl]methanamine
CID 63269028
[4-fluoro-3-[(2-fluorophenyl)methoxymethyl]phenyl]methanamine
CID 63934665
[4-fluoro-3-(2-methylbutan-2-yloxymethyl)phenyl]methanamine
CID 28996271
1-ethyl-2-[(4-ethylphenyl)methoxy]benzene
CID 64764755
[4-fluoro-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]methanamine
CID 103289061
[3-[(4-tert-butylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 29282707
[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methanamine
CID 82828276
[3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorophenyl]methanamine
CID 43531259
[3-[(3-tert-butylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 43169661
2-[(2-ethoxyphenoxy)methyl]-1,4-difluorobenzene
CID 112842348
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-[(2-methylphenyl)methyl]ethanamine
CID 43588378

Frequently Asked Questions

What is the IUPAC name of [3-[(2-ethylphenoxy)methyl]-4-fluorophenyl]methanamine?
The IUPAC name of [3-[(2-ethylphenoxy)methyl]-4-fluorophenyl]methanamine (CID 43364228) is [3-[(2-ethylphenoxy)methyl]-4-fluorophenyl]methanamine.
What is the SMILES notation for [3-[(2-ethylphenoxy)methyl]-4-fluorophenyl]methanamine?
The canonical SMILES for [3-[(2-ethylphenoxy)methyl]-4-fluorophenyl]methanamine is CCc1ccccc1OCc1cc(CN)ccc1F.
What is the InChIKey of [3-[(2-ethylphenoxy)methyl]-4-fluorophenyl]methanamine?
The InChIKey is DXGXDPZVFFGRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-2-13-5-3-4-6-16(13)19-11-14-9-12(10-18)7-8-15(14)17/h3-9H,2,10-11,18H2,1H3.
What are the key properties of [3-[(2-ethylphenoxy)methyl]-4-fluorophenyl]methanamine?
[3-[(2-ethylphenoxy)methyl]-4-fluorophenyl]methanamine has a molecular weight of 259.32 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-ethylphenoxy)methyl]-4-fluorophenyl]methanamine is sourced from PubChem (CID 43364228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).