1-(methylamino)-1-pyridin-4-ylpropan-2-ol

C9H14N2O — CID 116859507

IUPAC1-(methylamino)-1-pyridin-4-ylpropan-2-ol
SMILESCNC(c1ccncc1)C(C)O
InChIInChI=1S/C9H14N2O/c1-7(12)9(10-2)8-3-5-11-6-4-8/h3-7,9-10,12H,1-2H3
InChIKeyHOECFOWZRASKLH-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.72
Rot. Bonds3

About 1-(methylamino)-1-pyridin-4-ylpropan-2-ol

1-(methylamino)-1-pyridin-4-ylpropan-2-ol (PubChem CID 116859507) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(methylamino)-1-pyridin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-(methylamino)-1-pyridin-4-ylpropan-2-ol
PubChem CID116859507
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-(methylamino)-1-pyridin-4-ylpropan-2-ol
SMILESCNC(c1ccncc1)C(C)O
InChIInChI=1S/C9H14N2O/c1-7(12)9(10-2)8-3-5-11-6-4-8/h3-7,9-10,12H,1-2H3
InChIKeyHOECFOWZRASKLH-UHFFFAOYSA-N
XLogP0.72
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1,2-dipyridin-4-ylpropan-1-amine
CID 66446384
1-(methylamino)-1-(4-methylphenyl)propan-2-ol
CID 116859377
N-methyl-1-phenyl-2-pyridin-4-ylpropan-1-amine
CID 66446573
3-methyl-2-[methylamino(pyridin-4-yl)methyl]butanoic acid
CID 116959813
N-methyl-1-pyridin-4-ylethanamine;dihydrochloride
CID 42921481
N-methyl-2-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine
CID 116960994
N,5-dimethyl-2-pyridin-4-ylhexan-3-amine
CID 66447939
2-methyl-N-(2-methylpropyl)-1-pyridin-4-ylpropan-1-amine
CID 115876396
N-ethyl-2-methyl-1-pyridin-4-ylpropan-1-amine
CID 60820043
N,5-dimethyl-4-propan-2-yl-2-pyridin-4-ylhexan-3-amine
CID 114282261
1-(2-fluorophenyl)-N-methyl-2-pyridin-4-ylpropan-1-amine
CID 66446959
N-methyl-1-(3-methylfuran-2-yl)-2-pyridin-4-ylpropan-1-amine
CID 66448517

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-1-pyridin-4-ylpropan-2-ol?
The IUPAC name of 1-(methylamino)-1-pyridin-4-ylpropan-2-ol (CID 116859507) is 1-(methylamino)-1-pyridin-4-ylpropan-2-ol.
What is the SMILES notation for 1-(methylamino)-1-pyridin-4-ylpropan-2-ol?
The canonical SMILES for 1-(methylamino)-1-pyridin-4-ylpropan-2-ol is CNC(c1ccncc1)C(C)O.
What is the InChIKey of 1-(methylamino)-1-pyridin-4-ylpropan-2-ol?
The InChIKey is HOECFOWZRASKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7(12)9(10-2)8-3-5-11-6-4-8/h3-7,9-10,12H,1-2H3.
What are the key properties of 1-(methylamino)-1-pyridin-4-ylpropan-2-ol?
1-(methylamino)-1-pyridin-4-ylpropan-2-ol has a molecular weight of 166.22 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-1-pyridin-4-ylpropan-2-ol is sourced from PubChem (CID 116859507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).