2-(pyridin-2-ylmethylamino)propan-1-ol

C9H14N2O — CID 43499555

IUPAC2-(pyridin-2-ylmethylamino)propan-1-ol
SMILESCC(CO)NCc1ccccn1
InChIInChI=1S/C9H14N2O/c1-8(7-12)11-6-9-4-2-3-5-10-9/h2-5,8,11-12H,6-7H2,1H3
InChIKeyUNXXZZBCTYIRIR-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.55
Rot. Bonds4

About 2-(pyridin-2-ylmethylamino)propan-1-ol

2-(pyridin-2-ylmethylamino)propan-1-ol (PubChem CID 43499555) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name2-(pyridin-2-ylmethylamino)propan-1-ol
PubChem CID43499555
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-(pyridin-2-ylmethylamino)propan-1-ol
SMILESCC(CO)NCc1ccccn1
InChIInChI=1S/C9H14N2O/c1-8(7-12)11-6-9-4-2-3-5-10-9/h2-5,8,11-12H,6-7H2,1H3
InChIKeyUNXXZZBCTYIRIR-UHFFFAOYSA-N
XLogP0.55
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Betahistine
CID 2366
2-Pyridinemethanamine
CID 19509
Bis(2-pyridylmethyl)amine
CID 73759
Betahistine Hydrochloride
CID 68643
Pyridine, 2-(2-(methylamino)ethyl)-, hydrochloride
CID 203875
N-methyl-1-(pyridin-2-yl)methanamine
CID 88757
2-(Dimethylaminomethyl)-pyridine
CID 252482
Pyripropanol
CID 72922
2-Pyridinealdoxime O-propyl ether
CID 9561242
1-Pyridin-2-ylmethyl-piperazine hydrochloride
CID 24761072
2-(Morpholinomethyl)-pyridine
CID 269694
2-(Bis-(2-pyridylmethyl)-amino)-ethanol
CID 340698

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylmethylamino)propan-1-ol?
The IUPAC name of 2-(pyridin-2-ylmethylamino)propan-1-ol (CID 43499555) is 2-(pyridin-2-ylmethylamino)propan-1-ol.
What is the SMILES notation for 2-(pyridin-2-ylmethylamino)propan-1-ol?
The canonical SMILES for 2-(pyridin-2-ylmethylamino)propan-1-ol is CC(CO)NCc1ccccn1.
What is the InChIKey of 2-(pyridin-2-ylmethylamino)propan-1-ol?
The InChIKey is UNXXZZBCTYIRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-8(7-12)11-6-9-4-2-3-5-10-9/h2-5,8,11-12H,6-7H2,1H3.
What are the key properties of 2-(pyridin-2-ylmethylamino)propan-1-ol?
2-(pyridin-2-ylmethylamino)propan-1-ol has a molecular weight of 166.22 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylmethylamino)propan-1-ol is sourced from PubChem (CID 43499555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).