2-(3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine

C13H14FN3 — CID 115530243

IUPAC2-(3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
SMILESCc1nccc(C(N)Cc2cccc(F)c2)n1
InChIInChI=1S/C13H14FN3/c1-9-16-6-5-13(17-9)12(15)8-10-3-2-4-11(14)7-10/h2-7,12H,8,15H2,1H3
InChIKeyJAZXKCZTWMHICH-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.17
Rot. Bonds3

About 2-(3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine

2-(3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine (PubChem CID 115530243) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
PubChem CID115530243
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name2-(3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
SMILESCc1nccc(C(N)Cc2cccc(F)c2)n1
InChIInChI=1S/C13H14FN3/c1-9-16-6-5-13(17-9)12(15)8-10-3-2-4-11(14)7-10/h2-7,12H,8,15H2,1H3
InChIKeyJAZXKCZTWMHICH-UHFFFAOYSA-N
XLogP2.17
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-1-pyridin-2-ylethanamine
CID 60819500
2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 102619243
2-(2,3-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 113329452
2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530048
1-(2-methylpyrimidin-4-yl)-2-naphthalen-1-ylethanamine
CID 115530277
2-(3-fluorophenyl)-1-phenylethanamine;hydrochloride
CID 25032833
1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethanamine
CID 63969593
2-(3-fluorophenyl)-1-(3-methoxypyrazin-2-yl)ethanamine
CID 113421578
(1R)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine
CID 104941079
1-(2-ethoxyphenyl)-2-(3-fluorophenyl)ethanamine
CID 61077982
2-(2,5-dimethylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 113329517
1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine
CID 54945902

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine?
The IUPAC name of 2-(3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine (CID 115530243) is 2-(3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine is Cc1nccc(C(N)Cc2cccc(F)c2)n1.
What is the InChIKey of 2-(3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine?
The InChIKey is JAZXKCZTWMHICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-9-16-6-5-13(17-9)12(15)8-10-3-2-4-11(14)7-10/h2-7,12H,8,15H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine?
2-(3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine has a molecular weight of 231.27 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine is sourced from PubChem (CID 115530243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).