N-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine

C17H20FNO2 — CID 43471952

IUPACN-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
SMILESCCNCc1cccc(OC)c1OCc1cccc(F)c1
InChIInChI=1S/C17H20FNO2/c1-3-19-11-14-7-5-9-16(20-2)17(14)21-12-13-6-4-8-15(18)10-13/h4-10,19H,3,11-12H2,1-2H3
InChIKeyVGDKXFUZAAYYPJ-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.52
Rot. Bonds7

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

N-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine (PubChem CID 43471952) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
PubChem CID43471952
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC NameN-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
SMILESCCNCc1cccc(OC)c1OCc1cccc(F)c1
InChIInChI=1S/C17H20FNO2/c1-3-19-11-14-7-5-9-16(20-2)17(14)21-12-13-6-4-8-15(18)10-13/h4-10,19H,3,11-12H2,1-2H3
InChIKeyVGDKXFUZAAYYPJ-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

N-[[3-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 115952940
N-[[3-methoxy-2-(pyridin-4-ylmethoxy)phenyl]methyl]ethanamine
CID 43427709
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride
CID 17290756
N-[[3,5-difluoro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 79882208
1-(4-fluorophenyl)-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]methanamine;hydrochloride
CID 17292639
1-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propan-2-amine
CID 60908017
N-[[3,5-dichloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 43515758
N-[[2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]ethanamine
CID 81106283
N-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]butan-1-amine
CID 39455732
N-[[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107695868
2-[2-(ethylaminomethyl)-6-methoxyphenoxy]ethanol
CID 43471970
N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]ethanamine
CID 43471950

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine (CID 43471952) is N-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine is CCNCc1cccc(OC)c1OCc1cccc(F)c1.
What is the InChIKey of N-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine?
The InChIKey is VGDKXFUZAAYYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-3-19-11-14-7-5-9-16(20-2)17(14)21-12-13-6-4-8-15(18)10-13/h4-10,19H,3,11-12H2,1-2H3.
What are the key properties of N-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine?
N-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]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-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine is sourced from PubChem (CID 43471952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).