N-[[4-fluoro-3-[(2-methoxyphenoxy)methyl]phenyl]methyl]ethanamine

C17H20FNO2 — CID 107457492

IUPACN-[[4-fluoro-3-[(2-methoxyphenoxy)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(COc2ccccc2OC)c1
InChIInChI=1S/C17H20FNO2/c1-3-19-11-13-8-9-15(18)14(10-13)12-21-17-7-5-4-6-16(17)20-2/h4-10,19H,3,11-12H2,1-2H3
InChIKeyPAFMARSMMDKJEX-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.52
Rot. Bonds7

About N-[[4-fluoro-3-[(2-methoxyphenoxy)methyl]phenyl]methyl]ethanamine

N-[[4-fluoro-3-[(2-methoxyphenoxy)methyl]phenyl]methyl]ethanamine (PubChem CID 107457492) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[[4-fluoro-3-[(2-methoxyphenoxy)methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-fluoro-3-[(2-methoxyphenoxy)methyl]phenyl]methyl]ethanamine
PubChem CID107457492
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC NameN-[[4-fluoro-3-[(2-methoxyphenoxy)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(COc2ccccc2OC)c1
InChIInChI=1S/C17H20FNO2/c1-3-19-11-13-8-9-15(18)14(10-13)12-21-17-7-5-4-6-16(17)20-2/h4-10,19H,3,11-12H2,1-2H3
InChIKeyPAFMARSMMDKJEX-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Nisoxetine
CID 4500
Benzenepropanamine, gamma-(2-methoxyphenoxy)-N-methyl-, hydrochloride (1:1)
CID 134453
Nisoxetine, (-)-
CID 6603938
(3H)nisoxetine
CID 53323310
1-[4-methoxy-3-(2-phenylethoxy)phenyl]-5-methyl-N-propylhexan-2-amine;hydrochloride
CID 9823428
1-[4-methoxy-3-(2-phenylethoxy)phenyl]-N-propylhexan-2-amine;hydrochloride
CID 19606389
(3S)-3-[(R)-(2-methoxyphenoxy)-phenylmethyl]pyrrolidine
CID 71562265
6,7-Diethoxy-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3519554
N-[3-(benzyloxy)-4-methoxybenzyl]-2-(2-methoxyphenyl)ethanamine
CID 2169010
2-(4-fluorophenyl)-~{N}-[(4-phenoxyphenyl)methyl]ethanamine
CID 138756786
1-(2,6-Dimethylphenoxy)-2-(3,4-dimethoxyphenylethylamino)propane
CID 163906
N-[(3-phenylphenyl)methyl]-2-(2-propan-2-yloxyphenoxy)ethanamine
CID 16109481

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-[(2-methoxyphenoxy)methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-fluoro-3-[(2-methoxyphenoxy)methyl]phenyl]methyl]ethanamine (CID 107457492) is N-[[4-fluoro-3-[(2-methoxyphenoxy)methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-fluoro-3-[(2-methoxyphenoxy)methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-fluoro-3-[(2-methoxyphenoxy)methyl]phenyl]methyl]ethanamine is CCNCc1ccc(F)c(COc2ccccc2OC)c1.
What is the InChIKey of N-[[4-fluoro-3-[(2-methoxyphenoxy)methyl]phenyl]methyl]ethanamine?
The InChIKey is PAFMARSMMDKJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-3-19-11-13-8-9-15(18)14(10-13)12-21-17-7-5-4-6-16(17)20-2/h4-10,19H,3,11-12H2,1-2H3.
What are the key properties of N-[[4-fluoro-3-[(2-methoxyphenoxy)methyl]phenyl]methyl]ethanamine?
N-[[4-fluoro-3-[(2-methoxyphenoxy)methyl]phenyl]methyl]ethanamine has a molecular weight of 289.35 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-[(2-methoxyphenoxy)methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 107457492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).