1-(2-fluoro-4-methoxyphenyl)-2-(6-methoxypyrimidin-4-yl)ethanamine

C14H16FN3O2 — CID 102883534

IUPAC1-(2-fluoro-4-methoxyphenyl)-2-(6-methoxypyrimidin-4-yl)ethanamine
SMILESCOc1ccc(C(N)Cc2cc(OC)ncn2)c(F)c1
InChIInChI=1S/C14H16FN3O2/c1-19-10-3-4-11(12(15)7-10)13(16)5-9-6-14(20-2)18-8-17-9/h3-4,6-8,13H,5,16H2,1-2H3
InChIKeyLVHOLHXXNRFITL-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.88
Rot. Bonds5

About 1-(2-fluoro-4-methoxyphenyl)-2-(6-methoxypyrimidin-4-yl)ethanamine

1-(2-fluoro-4-methoxyphenyl)-2-(6-methoxypyrimidin-4-yl)ethanamine (PubChem CID 102883534) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-2-(6-methoxypyrimidin-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-2-(6-methoxypyrimidin-4-yl)ethanamine
PubChem CID102883534
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-2-(6-methoxypyrimidin-4-yl)ethanamine
SMILESCOc1ccc(C(N)Cc2cc(OC)ncn2)c(F)c1
InChIInChI=1S/C14H16FN3O2/c1-19-10-3-4-11(12(15)7-10)13(16)5-9-6-14(20-2)18-8-17-9/h3-4,6-8,13H,5,16H2,1-2H3
InChIKeyLVHOLHXXNRFITL-UHFFFAOYSA-N
XLogP1.88
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluoro-4-methoxyphenyl)-3,3-dimethylbutan-1-amine
CID 43561213
2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 81304819
2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 55272766
(1S)-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine
CID 171219591
1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanamine
CID 43561226
(2-fluoro-4-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methanol
CID 103395508
2-(4-chlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561283
1-(2-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 55067518
(1R)-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171200074
2-(4-bromophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561233
(1R)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine
CID 171200097
(4S)-4-amino-4-(2-fluoro-4-methoxyphenyl)butan-1-ol
CID 171219632

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-2-(6-methoxypyrimidin-4-yl)ethanamine?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-2-(6-methoxypyrimidin-4-yl)ethanamine (CID 102883534) is 1-(2-fluoro-4-methoxyphenyl)-2-(6-methoxypyrimidin-4-yl)ethanamine.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-2-(6-methoxypyrimidin-4-yl)ethanamine?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-2-(6-methoxypyrimidin-4-yl)ethanamine is COc1ccc(C(N)Cc2cc(OC)ncn2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-2-(6-methoxypyrimidin-4-yl)ethanamine?
The InChIKey is LVHOLHXXNRFITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-19-10-3-4-11(12(15)7-10)13(16)5-9-6-14(20-2)18-8-17-9/h3-4,6-8,13H,5,16H2,1-2H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-2-(6-methoxypyrimidin-4-yl)ethanamine?
1-(2-fluoro-4-methoxyphenyl)-2-(6-methoxypyrimidin-4-yl)ethanamine has a molecular weight of 277.30 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)-2-(6-methoxypyrimidin-4-yl)ethanamine is sourced from PubChem (CID 102883534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).