2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol

C10H14F3N3O — CID 79869327

IUPAC2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
SMILESCC(CO)Nc1nc(C(F)(F)F)ccc1CN
InChIInChI=1S/C10H14F3N3O/c1-6(5-17)15-9-7(4-14)2-3-8(16-9)10(11,12)13/h2-3,6,17H,4-5,14H2,1H3,(H,15,16)
InChIKeyIOAJERQUWKOKOG-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.35
Rot. Bonds4

About 2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol

2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol (PubChem CID 79869327) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
PubChem CID79869327
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
SMILESCC(CO)Nc1nc(C(F)(F)F)ccc1CN
InChIInChI=1S/C10H14F3N3O/c1-6(5-17)15-9-7(4-14)2-3-8(16-9)10(11,12)13/h2-3,6,17H,4-5,14H2,1H3,(H,15,16)
InChIKeyIOAJERQUWKOKOG-UHFFFAOYSA-N
XLogP1.35
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol?
The IUPAC name of 2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol (CID 79869327) is 2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol.
What is the SMILES notation for 2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol?
The canonical SMILES for 2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol is CC(CO)Nc1nc(C(F)(F)F)ccc1CN.
What is the InChIKey of 2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol?
The InChIKey is IOAJERQUWKOKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-6(5-17)15-9-7(4-14)2-3-8(16-9)10(11,12)13/h2-3,6,17H,4-5,14H2,1H3,(H,15,16).
What are the key properties of 2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol?
2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol has a molecular weight of 249.24 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol is sourced from PubChem (CID 79869327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).