2-(4-fluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine

C17H20FNO2 — CID 62106822

IUPAC2-(4-fluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine
SMILESCNCC(OCc1cccc(OC)c1)c1ccc(F)cc1
InChIInChI=1S/C17H20FNO2/c1-19-11-17(14-6-8-15(18)9-7-14)21-12-13-4-3-5-16(10-13)20-2/h3-10,17,19H,11-12H2,1-2H3
InChIKeyJMDHUHSLBFJYLK-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.31
Rot. Bonds7

About 2-(4-fluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine

2-(4-fluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine (PubChem CID 62106822) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine
PubChem CID62106822
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name2-(4-fluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine
SMILESCNCC(OCc1cccc(OC)c1)c1ccc(F)cc1
InChIInChI=1S/C17H20FNO2/c1-19-11-17(14-6-8-15(18)9-7-14)21-12-13-4-3-5-16(10-13)20-2/h3-10,17,19H,11-12H2,1-2H3
InChIKeyJMDHUHSLBFJYLK-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine
CID 62106102
2-[(3-methoxyphenyl)methoxy]-N-methyl-2-(2-methylphenyl)ethanamine
CID 62106288
1-[[2-bromo-1-(4-methoxyphenyl)ethoxy]methyl]-3-methoxybenzene
CID 62112704
1-[2-bromo-2-(4-fluorophenyl)ethyl]-3-methoxybenzene
CID 61086300
2-(4-fluorophenyl)-2-(3-methoxypropoxy)-N-methylethanamine
CID 62107169
N-[2-(4-fluorophenyl)-2-phenylmethoxyethyl]propan-2-amine
CID 62108079
2-(4-fluorophenyl)-N-methyl-2-(2-methylpropoxy)ethanamine
CID 62106160
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(3-methoxyphenyl)acetamide
CID 110888834
2-(3-methoxyphenyl)-N-methyl-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82792850
N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 55686840
2-hexoxy-2-(3-methoxyphenyl)-N-methylethanamine
CID 55036389
[4-[(2R)-2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl]piperazin-1-yl]-(3,5-difluorophenyl)methanone
CID 92771165

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine?
The IUPAC name of 2-(4-fluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine (CID 62106822) is 2-(4-fluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine is CNCC(OCc1cccc(OC)c1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine?
The InChIKey is JMDHUHSLBFJYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-19-11-17(14-6-8-15(18)9-7-14)21-12-13-4-3-5-16(10-13)20-2/h3-10,17,19H,11-12H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine?
2-(4-fluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine has a molecular weight of 289.35 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine is sourced from PubChem (CID 62106822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).