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

3-[1-(2-ethoxyphenyl)ethylamino]-4-methoxybutan-1-ol
CID 103785533
1-cyclopropyl-2-methoxy-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81402259
(2R)-3-phenyl-2-(1-pyridin-2-ylethylamino)propan-1-ol
CID 104926141
N-[(1R)-1-pyridin-2-ylethyl]pentan-2-amine
CID 81401489
3-methyl-2-(1-pyridin-2-ylethylamino)butan-1-ol
CID 79253644
4-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]phenol
CID 114151398
4-methoxy-4-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine
CID 81399712
2-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]naphthalen-1-ol
CID 104582639
4-methoxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]butan-1-ol
CID 103785449
4-methoxy-3-[1-(4-propoxyphenyl)ethylamino]butan-1-ol
CID 103785549
3-(1-pyridin-2-ylethylamino)propan-1-ol
CID 2772086
3-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine
CID 81402254

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).