1-(cyclopropylmethoxy)-3-[(6-fluoro-2-pyridinyl)amino]propan-2-ol

C12H17FN2O2 — CID 56805178

IUPAC1-(cyclopropylmethoxy)-3-[(6-fluoro-2-pyridinyl)amino]propan-2-ol
SMILESOC(CNc1cccc(F)n1)COCC1CC1
InChIInChI=1S/C12H17FN2O2/c13-11-2-1-3-12(15-11)14-6-10(16)8-17-7-9-4-5-9/h1-3,9-10,16H,4-8H2,(H,14,15)
InChIKeyGAPWNCAZUAOKQD-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.42
Rot. Bonds7

About 1-(cyclopropylmethoxy)-3-[(6-fluoro-2-pyridinyl)amino]propan-2-ol

1-(cyclopropylmethoxy)-3-[(6-fluoro-2-pyridinyl)amino]propan-2-ol (PubChem CID 56805178) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-3-[(6-fluoro-2-pyridinyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-3-[(6-fluoro-2-pyridinyl)amino]propan-2-ol
PubChem CID56805178
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name1-(cyclopropylmethoxy)-3-[(6-fluoro-2-pyridinyl)amino]propan-2-ol
SMILESOC(CNc1cccc(F)n1)COCC1CC1
InChIInChI=1S/C12H17FN2O2/c13-11-2-1-3-12(15-11)14-6-10(16)8-17-7-9-4-5-9/h1-3,9-10,16H,4-8H2,(H,14,15)
InChIKeyGAPWNCAZUAOKQD-UHFFFAOYSA-N
XLogP1.42
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-3-[(6-fluoro-2-pyridinyl)amino]propan-2-ol?
The IUPAC name of 1-(cyclopropylmethoxy)-3-[(6-fluoro-2-pyridinyl)amino]propan-2-ol (CID 56805178) is 1-(cyclopropylmethoxy)-3-[(6-fluoro-2-pyridinyl)amino]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylmethoxy)-3-[(6-fluoro-2-pyridinyl)amino]propan-2-ol?
The canonical SMILES for 1-(cyclopropylmethoxy)-3-[(6-fluoro-2-pyridinyl)amino]propan-2-ol is OC(CNc1cccc(F)n1)COCC1CC1.
What is the InChIKey of 1-(cyclopropylmethoxy)-3-[(6-fluoro-2-pyridinyl)amino]propan-2-ol?
The InChIKey is GAPWNCAZUAOKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c13-11-2-1-3-12(15-11)14-6-10(16)8-17-7-9-4-5-9/h1-3,9-10,16H,4-8H2,(H,14,15).
What are the key properties of 1-(cyclopropylmethoxy)-3-[(6-fluoro-2-pyridinyl)amino]propan-2-ol?
1-(cyclopropylmethoxy)-3-[(6-fluoro-2-pyridinyl)amino]propan-2-ol has a molecular weight of 240.28 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-3-[(6-fluoro-2-pyridinyl)amino]propan-2-ol is sourced from PubChem (CID 56805178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).