N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-4-ylethanamine

C15H18FN3O — CID 104793956

IUPACN-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-4-ylethanamine
SMILESCCNC(Cc1cccc(OC)c1F)c1ccncn1
InChIInChI=1S/C15H18FN3O/c1-3-18-13(12-7-8-17-10-19-12)9-11-5-4-6-14(20-2)15(11)16/h4-8,10,13,18H,3,9H2,1-2H3
InChIKeyFWUSTMLKNOYJCZ-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.52
Rot. Bonds6

About N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-4-ylethanamine

N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-4-ylethanamine (PubChem CID 104793956) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-4-ylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-4-ylethanamine
PubChem CID104793956
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-4-ylethanamine
SMILESCCNC(Cc1cccc(OC)c1F)c1ccncn1
InChIInChI=1S/C15H18FN3O/c1-3-18-13(12-7-8-17-10-19-12)9-11-5-4-6-14(20-2)15(11)16/h4-8,10,13,18H,3,9H2,1-2H3
InChIKeyFWUSTMLKNOYJCZ-UHFFFAOYSA-N
XLogP2.52
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyridin-2-ylethanamine
CID 104793780
1-(5-bromo-2-pyridinyl)-N-ethyl-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 104794282
2-(2,5-difluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine
CID 63988553
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 104794217
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)ethanamine
CID 104793932
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine
CID 114855706
N-[2-(2-methoxy-5-methylphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 63989184
2-(2,6-dichlorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine
CID 63988550
N-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-pyridin-3-ylpropan-2-amine
CID 104793900
2-(5-bromo-2-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethanamine
CID 63987280
N-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-methylsulfanylpropan-2-amine
CID 104793912
(2-fluoro-3-methoxyphenyl)-pyrimidin-4-ylmethanamine
CID 82807720

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-4-ylethanamine?
The IUPAC name of N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-4-ylethanamine (CID 104793956) is N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-4-ylethanamine.
What is the SMILES notation for N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-4-ylethanamine?
The canonical SMILES for N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-4-ylethanamine is CCNC(Cc1cccc(OC)c1F)c1ccncn1.
What is the InChIKey of N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-4-ylethanamine?
The InChIKey is FWUSTMLKNOYJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-3-18-13(12-7-8-17-10-19-12)9-11-5-4-6-14(20-2)15(11)16/h4-8,10,13,18H,3,9H2,1-2H3.
What are the key properties of N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-4-ylethanamine?
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-4-ylethanamine has a molecular weight of 275.33 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-4-ylethanamine is sourced from PubChem (CID 104793956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).