1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]-N-methylmethanamine

C17H20FNO2 — CID 43314356

IUPAC1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1Oc1ccc(CCOC)cc1
InChIInChI=1S/C17H20FNO2/c1-19-12-14-11-15(18)5-8-17(14)21-16-6-3-13(4-7-16)9-10-20-2/h3-8,11,19H,9-10,12H2,1-2H3
InChIKeyDKTOYMQUAYUDNW-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.53
Rot. Bonds7

About 1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]-N-methylmethanamine

1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]-N-methylmethanamine (PubChem CID 43314356) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]-N-methylmethanamine
PubChem CID43314356
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1Oc1ccc(CCOC)cc1
InChIInChI=1S/C17H20FNO2/c1-19-12-14-11-15(18)5-8-17(14)21-16-6-3-13(4-7-16)9-10-20-2/h3-8,11,19H,9-10,12H2,1-2H3
InChIKeyDKTOYMQUAYUDNW-UHFFFAOYSA-N
XLogP3.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 115492896
1-[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43589963
1-[5-fluoro-2-(4-nitrophenoxy)phenyl]-N-methylmethanamine
CID 61032416
1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanone
CID 43244939
(1S)-1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol
CID 78938709
1-[2-(3,5-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43622050
1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 65201228
1-[5-fluoro-2-(2-methoxyphenoxy)phenyl]-N-methylmethanamine
CID 43314262
1-[2-(3-chlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43314250
N-[[5-fluoro-2-(4-fluorophenoxy)phenyl]methyl]ethanamine
CID 43314233
4-(bromomethyl)-2-fluoro-1-[4-(2-methoxyethyl)phenoxy]benzene
CID 107087633
1-[5-chloro-2-(4-ethylphenoxy)phenyl]-N-methylmethanamine
CID 114855442

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]-N-methylmethanamine (CID 43314356) is 1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]-N-methylmethanamine is CNCc1cc(F)ccc1Oc1ccc(CCOC)cc1.
What is the InChIKey of 1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]-N-methylmethanamine?
The InChIKey is DKTOYMQUAYUDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-19-12-14-11-15(18)5-8-17(14)21-16-6-3-13(4-7-16)9-10-20-2/h3-8,11,19H,9-10,12H2,1-2H3.
What are the key properties of 1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]-N-methylmethanamine?
1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]-N-methylmethanamine has a molecular weight of 289.35 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 43314356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).