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

C16H17F2NO2 — CID 107524174

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine
SMILESCOc1ccc(C(N)COc2ccc(C)c(F)c2)cc1F
InChIInChI=1S/C16H17F2NO2/c1-10-3-5-12(8-13(10)17)21-9-15(19)11-4-6-16(20-2)14(18)7-11/h3-8,15H,9,19H2,1-2H3
InChIKeyXCVOUWJFGUKTLQ-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.36
Rot. Bonds5

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

1-(3-fluoro-4-methoxyphenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine (PubChem CID 107524174) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine
PubChem CID107524174
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine
SMILESCOc1ccc(C(N)COc2ccc(C)c(F)c2)cc1F
InChIInChI=1S/C16H17F2NO2/c1-10-3-5-12(8-13(10)17)21-9-15(19)11-4-6-16(20-2)14(18)7-11/h3-8,15H,9,19H2,1-2H3
InChIKeyXCVOUWJFGUKTLQ-UHFFFAOYSA-N
XLogP3.36
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 107130057
2-(3-fluoro-4-methylphenoxy)-1-(3-fluorophenyl)ethanamine
CID 107524173
2-(3,4-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine
CID 16784581
(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989
1-(3-fluoro-4-methoxyphenyl)hexan-1-amine
CID 43474211
(1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-1-amine;hydrochloride
CID 171221010
2-(2-fluoro-3-methoxyphenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 104793765
(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 82814367
1-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 61078516
(4-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 43474116
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-2-one
CID 116940504
3-ethyl-1-(3-fluoro-4-methoxyphenyl)pentan-1-amine
CID 105028399

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine (CID 107524174) is 1-(3-fluoro-4-methoxyphenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine is COc1ccc(C(N)COc2ccc(C)c(F)c2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine?
The InChIKey is XCVOUWJFGUKTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-10-3-5-12(8-13(10)17)21-9-15(19)11-4-6-16(20-2)14(18)7-11/h3-8,15H,9,19H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine?
1-(3-fluoro-4-methoxyphenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine has a molecular weight of 293.31 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine is sourced from PubChem (CID 107524174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).