1-(4-fluorophenyl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol

C14H16FN3O — CID 62848099

IUPAC1-(4-fluorophenyl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol
SMILESCc1cnc(CNCC(O)c2ccc(F)cc2)cn1
InChIInChI=1S/C14H16FN3O/c1-10-6-18-13(8-17-10)7-16-9-14(19)11-2-4-12(15)5-3-11/h2-6,8,14,16,19H,7,9H2,1H3
InChIKeyJQDYIIUBTXCEQC-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.75
Rot. Bonds5

About 1-(4-fluorophenyl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol

1-(4-fluorophenyl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol (PubChem CID 62848099) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol
PubChem CID62848099
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name1-(4-fluorophenyl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol
SMILESCc1cnc(CNCC(O)c2ccc(F)cc2)cn1
InChIInChI=1S/C14H16FN3O/c1-10-6-18-13(8-17-10)7-16-9-14(19)11-2-4-12(15)5-3-11/h2-6,8,14,16,19H,7,9H2,1H3
InChIKeyJQDYIIUBTXCEQC-UHFFFAOYSA-N
XLogP1.75
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzodioxol-5-yl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol
CID 62846276
1-(4-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 62846962
1-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
CID 62847369
1-(4-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]ethanol
CID 110889849
1-(2-bromo-4-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 62848282
1-(4-fluorophenyl)-2-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methylamino]ethanol
CID 119047886
1-(4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 54594094
1-(4-fluorophenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol
CID 60761067
1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 55122035
(1R)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-1-(4-fluorophenyl)ethanol
CID 94181797
2-[(4-fluorophenyl)methylamino]-1-(4-propylphenyl)ethanol
CID 82316019
2-[(2-ethylphenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 64681384

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol (CID 62848099) is 1-(4-fluorophenyl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol is Cc1cnc(CNCC(O)c2ccc(F)cc2)cn1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol?
The InChIKey is JQDYIIUBTXCEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-10-6-18-13(8-17-10)7-16-9-14(19)11-2-4-12(15)5-3-11/h2-6,8,14,16,19H,7,9H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol?
1-(4-fluorophenyl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol has a molecular weight of 261.30 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol is sourced from PubChem (CID 62848099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).