2-(3-fluoro-4-methoxyphenyl)-1-(3-methoxyphenyl)ethanamine

C16H18FNO2 — CID 62607710

IUPAC2-(3-fluoro-4-methoxyphenyl)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(N)Cc2ccc(OC)c(F)c2)c1
InChIInChI=1S/C16H18FNO2/c1-19-13-5-3-4-12(10-13)15(18)9-11-6-7-16(20-2)14(17)8-11/h3-8,10,15H,9,18H2,1-2H3
InChIKeyBJMXVWHWNWUJTP-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.09
Rot. Bonds5

About 2-(3-fluoro-4-methoxyphenyl)-1-(3-methoxyphenyl)ethanamine

2-(3-fluoro-4-methoxyphenyl)-1-(3-methoxyphenyl)ethanamine (PubChem CID 62607710) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-1-(3-methoxyphenyl)ethanamine
PubChem CID62607710
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(N)Cc2ccc(OC)c(F)c2)c1
InChIInChI=1S/C16H18FNO2/c1-19-13-5-3-4-12(10-13)15(18)9-11-6-7-16(20-2)14(17)8-11/h3-8,10,15H,9,18H2,1-2H3
InChIKeyBJMXVWHWNWUJTP-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride
CID 54599738
2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115829883
1-(4-chloro-3-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829672
1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)ethanamine
CID 61078688
(1R)-2-(3,5-dimethylphenyl)-1-(3-methoxyphenyl)ethanamine
CID 93461868
2-(3-fluoro-4-methoxyphenyl)-1-pyridazin-4-ylethanamine
CID 105122196
2-(3-fluoro-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 115829866
2-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)ethanamine
CID 62602782
1-(2,3-dichlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829955
1-(2,6-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 62603392
2-(2,3-difluorophenoxy)-1-(3-methoxyphenyl)ethanamine
CID 63036932

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(3-methoxyphenyl)ethanamine (CID 62607710) is 2-(3-fluoro-4-methoxyphenyl)-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-1-(3-methoxyphenyl)ethanamine is COc1cccc(C(N)Cc2ccc(OC)c(F)c2)c1.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-1-(3-methoxyphenyl)ethanamine?
The InChIKey is BJMXVWHWNWUJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-19-13-5-3-4-12(10-13)15(18)9-11-6-7-16(20-2)14(17)8-11/h3-8,10,15H,9,18H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-1-(3-methoxyphenyl)ethanamine?
2-(3-fluoro-4-methoxyphenyl)-1-(3-methoxyphenyl)ethanamine has a molecular weight of 275.32 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 62607710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).