N-[(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine

C17H20FNO2 — CID 82793003

IUPACN-[(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1OC)c1cccc(OC)c1F
InChIInChI=1S/C17H20FNO2/c1-4-19-17(12-8-5-6-10-14(12)20-2)13-9-7-11-15(21-3)16(13)18/h5-11,17,19H,4H2,1-3H3
InChIKeyQVOUTQCCQZLQDI-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.54
Rot. Bonds6

About N-[(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine

N-[(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine (PubChem CID 82793003) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
PubChem CID82793003
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC NameN-[(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1OC)c1cccc(OC)c1F
InChIInChI=1S/C17H20FNO2/c1-4-19-17(12-8-5-6-10-14(12)20-2)13-9-7-11-15(21-3)16(13)18/h5-11,17,19H,4H2,1-3H3
InChIKeyQVOUTQCCQZLQDI-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

N-[(2-fluoro-3-methoxyphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 82791652
N-[(3,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82791869
N-[(4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82807477
N-[(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 82808349
N-[(3,5-dibromophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 107976931
1-(2-fluoro-3-methoxyphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 82808523
N-[(4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43488877
N-[(2-fluoro-3-methoxyphenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 82791784
N-[(2-fluoro-3-methoxyphenyl)-pyridazin-4-ylmethyl]ethanamine
CID 105174724
N-[(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 105024887
N-[(3-chloro-4-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82791876
N-[(2-fluoro-3-methoxyphenyl)-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 82808223

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine (CID 82793003) is N-[(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine is CCNC(c1ccccc1OC)c1cccc(OC)c1F.
What is the InChIKey of N-[(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine?
The InChIKey is QVOUTQCCQZLQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-4-19-17(12-8-5-6-10-14(12)20-2)13-9-7-11-15(21-3)16(13)18/h5-11,17,19H,4H2,1-3H3.
What are the key properties of N-[(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine?
N-[(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine 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 N-[(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 82793003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).