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

C16H18FNO2 — CID 82807174

IUPAC1-(2-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)c2cccc(OC)c2F)cc1
InChIInChI=1S/C16H18FNO2/c1-19-12-8-6-11(7-9-12)10-14(18)13-4-3-5-15(20-2)16(13)17/h3-9,14H,10,18H2,1-2H3
InChIKeyMMHNQTOTTNGXEW-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.09
Rot. Bonds5

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

1-(2-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)ethanamine (PubChem CID 82807174) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)ethanamine
PubChem CID82807174
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)c2cccc(OC)c2F)cc1
InChIInChI=1S/C16H18FNO2/c1-19-12-8-6-11(7-9-12)10-14(18)13-4-3-5-15(20-2)16(13)17/h3-9,14H,10,18H2,1-2H3
InChIKeyMMHNQTOTTNGXEW-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

1-(2-fluoro-3-methoxyphenyl)-2-(4-fluorophenyl)ethanamine
CID 82807908
1-(2-fluoro-3-methoxyphenyl)propan-1-amine;hydrochloride
CID 167713058
2-(4-methoxyphenyl)-1-(2,4,5-trifluorophenyl)ethanamine
CID 103301772
1-(2-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 61078317
2-(4-iodophenyl)-1-(2-methoxyphenyl)ethanamine
CID 65477894
1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanamine
CID 43561226
(1S)-1-(2-fluoro-3-methoxyphenyl)pentane-1,5-diamine
CID 171225266
(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 82808424
ethyl (3S)-3-amino-3-(2-fluoro-3-methoxyphenyl)propanoate
CID 171225305
1-(2-ethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035625
1-(2,4-difluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanamine
CID 79724876
2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105035477

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)ethanamine (CID 82807174) is 1-(2-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)ethanamine is COc1ccc(CC(N)c2cccc(OC)c2F)cc1.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)ethanamine?
The InChIKey is MMHNQTOTTNGXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-19-12-8-6-11(7-9-12)10-14(18)13-4-3-5-15(20-2)16(13)17/h3-9,14H,10,18H2,1-2H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)ethanamine?
1-(2-fluoro-3-methoxyphenyl)-2-(4-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 1-(2-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 82807174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).