1-(2-ethoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine

C17H20FNO2 — CID 43487683

IUPAC1-(2-ethoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCCOc1ccccc1C(NC)c1ccc(OC)c(F)c1
InChIInChI=1S/C17H20FNO2/c1-4-21-15-8-6-5-7-13(15)17(19-2)12-9-10-16(20-3)14(18)11-12/h5-11,17,19H,4H2,1-3H3
InChIKeyGEXHAKUHRCJXAU-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.54
Rot. Bonds6

About 1-(2-ethoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine

1-(2-ethoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine (PubChem CID 43487683) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
PubChem CID43487683
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name1-(2-ethoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCCOc1ccccc1C(NC)c1ccc(OC)c(F)c1
InChIInChI=1S/C17H20FNO2/c1-4-21-15-8-6-5-7-13(15)17(19-2)12-9-10-16(20-3)14(18)11-12/h5-11,17,19H,4H2,1-3H3
InChIKeyGEXHAKUHRCJXAU-UHFFFAOYSA-N
XLogP3.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 105260791
1-(3-chloro-4-methoxyphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 43480963
1-(2-ethoxyphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 65298862
1-(5-bromo-2-methoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 62919212
1-(5-bromo-2-ethoxyphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 43487355
1-(3-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 105018455
1-(4-bromo-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 115853693
1-(3-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 81288273
1-(2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 43487462
1-(3,4-difluorophenyl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine
CID 105145620
1-(3-chloro-4-methoxyphenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 43480952
1-(2,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43487689

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-ethoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine (CID 43487683) is 1-(2-ethoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-ethoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine is CCOc1ccccc1C(NC)c1ccc(OC)c(F)c1.
What is the InChIKey of 1-(2-ethoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is GEXHAKUHRCJXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-4-21-15-8-6-5-7-13(15)17(19-2)12-9-10-16(20-3)14(18)11-12/h5-11,17,19H,4H2,1-3H3.
What are the key properties of 1-(2-ethoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
1-(2-ethoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 289.35 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 43487683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).