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

C16H18FNO2 — CID 82038950

IUPAC2-[3-(2-fluorophenyl)-4,5-dimethoxyphenyl]ethanamine
SMILESCOc1cc(CCN)cc(-c2ccccc2F)c1OC
InChIInChI=1S/C16H18FNO2/c1-19-15-10-11(7-8-18)9-13(16(15)20-2)12-5-3-4-6-14(12)17/h3-6,9-10H,7-8,18H2,1-2H3
InChIKeyPIMRCCZLWGIGDB-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.01
Rot. Bonds5

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

2-[3-(2-fluorophenyl)-4,5-dimethoxyphenyl]ethanamine (PubChem CID 82038950) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-[3-(2-fluorophenyl)-4,5-dimethoxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(2-fluorophenyl)-4,5-dimethoxyphenyl]ethanamine
PubChem CID82038950
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name2-[3-(2-fluorophenyl)-4,5-dimethoxyphenyl]ethanamine
SMILESCOc1cc(CCN)cc(-c2ccccc2F)c1OC
InChIInChI=1S/C16H18FNO2/c1-19-15-10-11(7-8-18)9-13(16(15)20-2)12-5-3-4-6-14(12)17/h3-6,9-10H,7-8,18H2,1-2H3
InChIKeyPIMRCCZLWGIGDB-UHFFFAOYSA-N
XLogP3.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxy-5-phenylphenyl)ethanamine
CID 82038802
2-(3,4-dimethoxy-5-pyridin-2-ylphenyl)ethanamine
CID 39226519
2-[3,4-dimethoxy-5-(2-methyl-1H-indol-3-yl)phenyl]ethanamine
CID 82039882
2-(3,4-dimethoxy-5-pyridin-3-ylphenyl)ethanamine
CID 39226574
2-[3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)phenyl]ethanamine
CID 82039989
2-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]ethanamine;hydrochloride
CID 146049973
2-[4-methoxy-3-(2-methylphenyl)phenyl]ethanamine
CID 82038847
2-[3-chloro-5-methoxy-4-(2-phenylethoxy)phenyl]ethanamine
CID 20986329
2-[3-chloro-5-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 22683993
[3-fluoro-4-(2-methoxyphenyl)phenyl]methanamine
CID 81446738
2-[2-(2,3-dimethoxyphenyl)phenyl]ethanamine;hydrochloride
CID 69173807
2-[5-(2-chlorophenyl)-2,3-dimethoxyphenyl]ethanamine
CID 82039087

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluorophenyl)-4,5-dimethoxyphenyl]ethanamine?
The IUPAC name of 2-[3-(2-fluorophenyl)-4,5-dimethoxyphenyl]ethanamine (CID 82038950) is 2-[3-(2-fluorophenyl)-4,5-dimethoxyphenyl]ethanamine.
What is the SMILES notation for 2-[3-(2-fluorophenyl)-4,5-dimethoxyphenyl]ethanamine?
The canonical SMILES for 2-[3-(2-fluorophenyl)-4,5-dimethoxyphenyl]ethanamine is COc1cc(CCN)cc(-c2ccccc2F)c1OC.
What is the InChIKey of 2-[3-(2-fluorophenyl)-4,5-dimethoxyphenyl]ethanamine?
The InChIKey is PIMRCCZLWGIGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-19-15-10-11(7-8-18)9-13(16(15)20-2)12-5-3-4-6-14(12)17/h3-6,9-10H,7-8,18H2,1-2H3.
What are the key properties of 2-[3-(2-fluorophenyl)-4,5-dimethoxyphenyl]ethanamine?
2-[3-(2-fluorophenyl)-4,5-dimethoxyphenyl]ethanamine has a molecular weight of 275.32 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluorophenyl)-4,5-dimethoxyphenyl]ethanamine is sourced from PubChem (CID 82038950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).