4-methoxy-3-(1-pyridin-2-ylethylamino)butan-1-ol

C12H20N2O2 — CID 115872140

IUPAC4-methoxy-3-(1-pyridin-2-ylethylamino)butan-1-ol
SMILESCOCC(CCO)NC(C)c1ccccn1
InChIInChI=1S/C12H20N2O2/c1-10(12-5-3-4-7-13-12)14-11(6-8-15)9-16-2/h3-5,7,10-11,14-15H,6,8-9H2,1-2H3
InChIKeyWTTGBLCVKUNURX-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.13
Rot. Bonds7

About 4-methoxy-3-(1-pyridin-2-ylethylamino)butan-1-ol

4-methoxy-3-(1-pyridin-2-ylethylamino)butan-1-ol (PubChem CID 115872140) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-methoxy-3-(1-pyridin-2-ylethylamino)butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-(1-pyridin-2-ylethylamino)butan-1-ol
PubChem CID115872140
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4-methoxy-3-(1-pyridin-2-ylethylamino)butan-1-ol
SMILESCOCC(CCO)NC(C)c1ccccn1
InChIInChI=1S/C12H20N2O2/c1-10(12-5-3-4-7-13-12)14-11(6-8-15)9-16-2/h3-5,7,10-11,14-15H,6,8-9H2,1-2H3
InChIKeyWTTGBLCVKUNURX-UHFFFAOYSA-N
XLogP1.13
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethanol, 2-((2-pyridinylmethyl)amino)-
CID 81135
N-(2,2-diethoxyethyl)pyridine-2-methylamine
CID 81407
Nsc65650
CID 248485
Methyl[1-(pyridin-2-yl)ethyl]amine
CID 16773381
N-(3-hydroxypropyl)-N'-(2-pyridinylmethyl)ethanediamide
CID 2849922
(2R)-2-[[3-fluoro-6-(5-fluoro-2-pyridinyl)-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312671
N-Isopropylpyridine-2-methylamine
CID 93874
(2S)-3-[[(1S,2S)-2-[ethyl(propyl)amino]-1,2-dipyridin-2-ylethyl]-(2-methoxyethyl)amino]-2-methylpropan-1-ol
CID 155531897
3-[2-[[6-(Aminomethyl)-2-pyridyl]methylamino]ethylamino]propan-1-ol
CID 463791
N-Butylpyridine-2-methylamine
CID 93924
2-Propanol, 1-[(2-pyridinylmethyl)amino]-
CID 111406
2-{[(Pyridin-2-yl)methyl]amino}butan-1-ol
CID 4712765

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(1-pyridin-2-ylethylamino)butan-1-ol?
The IUPAC name of 4-methoxy-3-(1-pyridin-2-ylethylamino)butan-1-ol (CID 115872140) is 4-methoxy-3-(1-pyridin-2-ylethylamino)butan-1-ol.
What is the SMILES notation for 4-methoxy-3-(1-pyridin-2-ylethylamino)butan-1-ol?
The canonical SMILES for 4-methoxy-3-(1-pyridin-2-ylethylamino)butan-1-ol is COCC(CCO)NC(C)c1ccccn1.
What is the InChIKey of 4-methoxy-3-(1-pyridin-2-ylethylamino)butan-1-ol?
The InChIKey is WTTGBLCVKUNURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10(12-5-3-4-7-13-12)14-11(6-8-15)9-16-2/h3-5,7,10-11,14-15H,6,8-9H2,1-2H3.
What are the key properties of 4-methoxy-3-(1-pyridin-2-ylethylamino)butan-1-ol?
4-methoxy-3-(1-pyridin-2-ylethylamino)butan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(1-pyridin-2-ylethylamino)butan-1-ol is sourced from PubChem (CID 115872140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).