1-(3-fluorophenyl)-2-[(3-propan-2-yloxypyrazin-2-yl)amino]ethanol

C15H18FN3O2 — CID 133468845

IUPAC1-(3-fluorophenyl)-2-[(3-propan-2-yloxypyrazin-2-yl)amino]ethanol
SMILESCC(C)Oc1nccnc1NCC(O)c1cccc(F)c1
InChIInChI=1S/C15H18FN3O2/c1-10(2)21-15-14(17-6-7-18-15)19-9-13(20)11-4-3-5-12(16)8-11/h3-8,10,13,20H,9H2,1-2H3,(H,17,19)
InChIKeyQMVXWWAOQAIOLY-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.55
Rot. Bonds6

About 1-(3-fluorophenyl)-2-[(3-propan-2-yloxypyrazin-2-yl)amino]ethanol

1-(3-fluorophenyl)-2-[(3-propan-2-yloxypyrazin-2-yl)amino]ethanol (PubChem CID 133468845) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-[(3-propan-2-yloxypyrazin-2-yl)amino]ethanol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-[(3-propan-2-yloxypyrazin-2-yl)amino]ethanol
PubChem CID133468845
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name1-(3-fluorophenyl)-2-[(3-propan-2-yloxypyrazin-2-yl)amino]ethanol
SMILESCC(C)Oc1nccnc1NCC(O)c1cccc(F)c1
InChIInChI=1S/C15H18FN3O2/c1-10(2)21-15-14(17-6-7-18-15)19-9-13(20)11-4-3-5-12(16)8-11/h3-8,10,13,20H,9H2,1-2H3,(H,17,19)
InChIKeyQMVXWWAOQAIOLY-UHFFFAOYSA-N
XLogP2.55
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-naphthalen-2-yl-2-[(3-propan-2-yloxypyrazin-2-yl)amino]ethanol
CID 133470787
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-propan-2-yloxypyrazin-2-amine
CID 133442873
N-(2-methoxy-2-phenylethyl)-3-propan-2-yloxypyrazin-2-amine
CID 133442641
1-cyclopropyl-2-[(3-propan-2-yloxypyrazin-2-yl)amino]ethanol
CID 133443246
(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
CID 67354588
2-(3,5-difluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60901279
1-(3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904161
N-[1-(3-fluorophenyl)ethyl]-2-propan-2-yloxypyridin-3-amine
CID 61374230
1-(3-fluorophenyl)-2-(4-methylanilino)ethanol
CID 60900339
2-[(2-chloropyrimidin-4-yl)amino]-1-(3-fluorophenyl)ethanol
CID 87727171
1-(3-fluorophenyl)-2-(3-methylbutan-2-ylamino)ethanol
CID 60899473
2-(4-ethylanilino)-1-(3-fluorophenyl)ethanol
CID 60901648

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-[(3-propan-2-yloxypyrazin-2-yl)amino]ethanol?
The IUPAC name of 1-(3-fluorophenyl)-2-[(3-propan-2-yloxypyrazin-2-yl)amino]ethanol (CID 133468845) is 1-(3-fluorophenyl)-2-[(3-propan-2-yloxypyrazin-2-yl)amino]ethanol.
What is the SMILES notation for 1-(3-fluorophenyl)-2-[(3-propan-2-yloxypyrazin-2-yl)amino]ethanol?
The canonical SMILES for 1-(3-fluorophenyl)-2-[(3-propan-2-yloxypyrazin-2-yl)amino]ethanol is CC(C)Oc1nccnc1NCC(O)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-[(3-propan-2-yloxypyrazin-2-yl)amino]ethanol?
The InChIKey is QMVXWWAOQAIOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-10(2)21-15-14(17-6-7-18-15)19-9-13(20)11-4-3-5-12(16)8-11/h3-8,10,13,20H,9H2,1-2H3,(H,17,19).
What are the key properties of 1-(3-fluorophenyl)-2-[(3-propan-2-yloxypyrazin-2-yl)amino]ethanol?
1-(3-fluorophenyl)-2-[(3-propan-2-yloxypyrazin-2-yl)amino]ethanol has a molecular weight of 291.33 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-[(3-propan-2-yloxypyrazin-2-yl)amino]ethanol is sourced from PubChem (CID 133468845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).