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

C10H16N2O2 — CID 175565226

IUPAC3-[2-(aminomethyl)-6-methoxy-3-pyridinyl]propan-1-ol
SMILESCOc1ccc(CCCO)c(CN)n1
InChIInChI=1S/C10H16N2O2/c1-14-10-5-4-8(3-2-6-13)9(7-11)12-10/h4-5,13H,2-3,6-7,11H2,1H3
InChIKeyFXRJLCWCLSQIRL-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.47
Rot. Bonds5

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

3-[2-(aminomethyl)-6-methoxy-3-pyridinyl]propan-1-ol (PubChem CID 175565226) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-6-methoxy-3-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(aminomethyl)-6-methoxy-3-pyridinyl]propan-1-ol
PubChem CID175565226
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-[2-(aminomethyl)-6-methoxy-3-pyridinyl]propan-1-ol
SMILESCOc1ccc(CCCO)c(CN)n1
InChIInChI=1S/C10H16N2O2/c1-14-10-5-4-8(3-2-6-13)9(7-11)12-10/h4-5,13H,2-3,6-7,11H2,1H3
InChIKeyFXRJLCWCLSQIRL-UHFFFAOYSA-N
XLogP0.47
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-6-methoxy-3-pyridinyl]propan-1-ol?
The IUPAC name of 3-[2-(aminomethyl)-6-methoxy-3-pyridinyl]propan-1-ol (CID 175565226) is 3-[2-(aminomethyl)-6-methoxy-3-pyridinyl]propan-1-ol.
What is the SMILES notation for 3-[2-(aminomethyl)-6-methoxy-3-pyridinyl]propan-1-ol?
The canonical SMILES for 3-[2-(aminomethyl)-6-methoxy-3-pyridinyl]propan-1-ol is COc1ccc(CCCO)c(CN)n1.
What is the InChIKey of 3-[2-(aminomethyl)-6-methoxy-3-pyridinyl]propan-1-ol?
The InChIKey is FXRJLCWCLSQIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-14-10-5-4-8(3-2-6-13)9(7-11)12-10/h4-5,13H,2-3,6-7,11H2,1H3.
What are the key properties of 3-[2-(aminomethyl)-6-methoxy-3-pyridinyl]propan-1-ol?
3-[2-(aminomethyl)-6-methoxy-3-pyridinyl]propan-1-ol has a molecular weight of 196.25 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)-6-methoxy-3-pyridinyl]propan-1-ol is sourced from PubChem (CID 175565226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).