N-[[2-(3-fluorophenyl)-4,5-dimethoxyphenyl]methyl]ethanamine

C17H20FNO2 — CID 61033866

IUPACN-[[2-(3-fluorophenyl)-4,5-dimethoxyphenyl]methyl]ethanamine
SMILESCCNCc1cc(OC)c(OC)cc1-c1cccc(F)c1
InChIInChI=1S/C17H20FNO2/c1-4-19-11-13-9-16(20-2)17(21-3)10-15(13)12-6-5-7-14(18)8-12/h5-10,19H,4,11H2,1-3H3
InChIKeyLFAXUCQBPTWIQL-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.62
Rot. Bonds6

About N-[[2-(3-fluorophenyl)-4,5-dimethoxyphenyl]methyl]ethanamine

N-[[2-(3-fluorophenyl)-4,5-dimethoxyphenyl]methyl]ethanamine (PubChem CID 61033866) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[[2-(3-fluorophenyl)-4,5-dimethoxyphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-fluorophenyl)-4,5-dimethoxyphenyl]methyl]ethanamine
PubChem CID61033866
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC NameN-[[2-(3-fluorophenyl)-4,5-dimethoxyphenyl]methyl]ethanamine
SMILESCCNCc1cc(OC)c(OC)cc1-c1cccc(F)c1
InChIInChI=1S/C17H20FNO2/c1-4-19-11-13-9-16(20-2)17(21-3)10-15(13)12-6-5-7-14(18)8-12/h5-10,19H,4,11H2,1-3H3
InChIKeyLFAXUCQBPTWIQL-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 43471952
N-[[5-(2,6-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 116810961
2-[2-[(4,5-dimethoxy-2-phenylphenyl)methylamino]ethoxy]ethanol
CID 119111857
N-[[5-(3,4-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 61026053
N-[[3-(2-methoxyphenyl)phenyl]methyl]ethanamine
CID 54911742
N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 23005780
N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3-methoxypropan-1-amine
CID 119110830
1-fluoro-3-[3-(2-methoxyphenyl)phenyl]benzene
CID 175734991
4-(3-fluorophenyl)-2-methoxy-5-methylaniline
CID 171037302
N-[[5-(2,4-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 61032524
N-[[4-(5-chloro-2-methoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 61034237
1-(3-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
CID 60896885

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluorophenyl)-4,5-dimethoxyphenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-fluorophenyl)-4,5-dimethoxyphenyl]methyl]ethanamine (CID 61033866) is N-[[2-(3-fluorophenyl)-4,5-dimethoxyphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-fluorophenyl)-4,5-dimethoxyphenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-fluorophenyl)-4,5-dimethoxyphenyl]methyl]ethanamine is CCNCc1cc(OC)c(OC)cc1-c1cccc(F)c1.
What is the InChIKey of N-[[2-(3-fluorophenyl)-4,5-dimethoxyphenyl]methyl]ethanamine?
The InChIKey is LFAXUCQBPTWIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-4-19-11-13-9-16(20-2)17(21-3)10-15(13)12-6-5-7-14(18)8-12/h5-10,19H,4,11H2,1-3H3.
What are the key properties of N-[[2-(3-fluorophenyl)-4,5-dimethoxyphenyl]methyl]ethanamine?
N-[[2-(3-fluorophenyl)-4,5-dimethoxyphenyl]methyl]ethanamine has a molecular weight of 289.35 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluorophenyl)-4,5-dimethoxyphenyl]methyl]ethanamine is sourced from PubChem (CID 61033866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).