1-(5-fluoro-2-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine

C16H18FNO2 — CID 82769168

IUPAC1-(5-fluoro-2-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(C)(N)c2cc(F)ccc2OC)cc1
InChIInChI=1S/C16H18FNO2/c1-16(18,11-4-7-13(19-2)8-5-11)14-10-12(17)6-9-15(14)20-3/h4-10H,18H2,1-3H3
InChIKeyQRBMNLKJBCJJLX-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.07
Rot. Bonds4

About 1-(5-fluoro-2-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine

1-(5-fluoro-2-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine (PubChem CID 82769168) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine
PubChem CID82769168
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(C)(N)c2cc(F)ccc2OC)cc1
InChIInChI=1S/C16H18FNO2/c1-16(18,11-4-7-13(19-2)8-5-11)14-10-12(17)6-9-15(14)20-3/h4-10H,18H2,1-3H3
InChIKeyQRBMNLKJBCJJLX-UHFFFAOYSA-N
XLogP3.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 80502577
2-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine
CID 116855541
1-(2,4-dichloro-5-fluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 82771424
(2S)-2-amino-2-(5-fluoro-2-methoxyphenyl)propanenitrile
CID 94679966
1-(2,3-difluoro-4-methylphenyl)-1-(4-methoxyphenyl)ethanamine
CID 107512472
1-(5-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)ethanamine
CID 83124560
1-(4-methoxyphenyl)-1-(2-propoxyphenyl)ethanamine
CID 104659024
1-(3-chlorophenyl)-1-(2,5-dimethoxyphenyl)ethanamine
CID 62801327
1-(3,5-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 82769159
1-amino-2-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 79003647
1-(3,4-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 103395200
2,2-difluoro-2-(5-fluoro-2-methoxyphenyl)acetaldehyde
CID 105455901

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine (CID 82769168) is 1-(5-fluoro-2-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine is COc1ccc(C(C)(N)c2cc(F)ccc2OC)cc1.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine?
The InChIKey is QRBMNLKJBCJJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-16(18,11-4-7-13(19-2)8-5-11)14-10-12(17)6-9-15(14)20-3/h4-10H,18H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine?
1-(5-fluoro-2-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine has a molecular weight of 275.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 82769168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).