(2S)-1-(4-methoxy-3-pyridinyl)-2-(propylamino)propan-1-ol

C12H20N2O2 — CID 178103113

IUPAC(2S)-1-(4-methoxy-3-pyridinyl)-2-(propylamino)propan-1-ol
SMILESCCCN[C@@H](C)C(O)c1cnccc1OC
InChIInChI=1S/C12H20N2O2/c1-4-6-14-9(2)12(15)10-8-13-7-5-11(10)16-3/h5,7-9,12,14-15H,4,6H2,1-3H3/t9-,12?/m0/s1
InChIKeyZNWFJDYRUUOZOW-QHGLUPRGSA-N
MW224.30 g/mol
LogP1.51
Rot. Bonds6

About (2S)-1-(4-methoxy-3-pyridinyl)-2-(propylamino)propan-1-ol

(2S)-1-(4-methoxy-3-pyridinyl)-2-(propylamino)propan-1-ol (PubChem CID 178103113) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is (2S)-1-(4-methoxy-3-pyridinyl)-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name(2S)-1-(4-methoxy-3-pyridinyl)-2-(propylamino)propan-1-ol
PubChem CID178103113
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name(2S)-1-(4-methoxy-3-pyridinyl)-2-(propylamino)propan-1-ol
SMILESCCCN[C@@H](C)C(O)c1cnccc1OC
InChIInChI=1S/C12H20N2O2/c1-4-6-14-9(2)12(15)10-8-13-7-5-11(10)16-3/h5,7-9,12,14-15H,4,6H2,1-3H3/t9-,12?/m0/s1
InChIKeyZNWFJDYRUUOZOW-QHGLUPRGSA-N
XLogP1.51
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-3-pyridinyl)-2-(propylamino)propan-1-ol
CID 178103278
1-(4-methoxy-3-pyridinyl)propane-1,2-diol
CID 130565658
ethyl 2,3-dihydroxy-3-(4-methoxy-3-pyridinyl)propanoate
CID 171865897
3-chloro-1-(4-methoxy-3-pyridinyl)propane-1,2-diol
CID 171861827
3-(2-methoxyphenyl)-N-propylbutan-2-amine
CID 66437216
N-[(2,3-difluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine
CID 105065627
(2R)-2-(methylamino)-1-(4-propan-2-yloxy-3-pyridinyl)pentan-1-ol
CID 178103202
2-(3-hydroxypropylamino)-1-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol
CID 82315545
5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)-N-propylpentan-1-amine
CID 105065946
N-[1-(2-methoxyphenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 62551587
N-[1-(3-chloro-4-pyridinyl)-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 105107654
N-[(2-methoxy-3-pyridinyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105164386

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methoxy-3-pyridinyl)-2-(propylamino)propan-1-ol?
The IUPAC name of (2S)-1-(4-methoxy-3-pyridinyl)-2-(propylamino)propan-1-ol (CID 178103113) is (2S)-1-(4-methoxy-3-pyridinyl)-2-(propylamino)propan-1-ol.
What is the SMILES notation for (2S)-1-(4-methoxy-3-pyridinyl)-2-(propylamino)propan-1-ol?
The canonical SMILES for (2S)-1-(4-methoxy-3-pyridinyl)-2-(propylamino)propan-1-ol is CCCN[C@@H](C)C(O)c1cnccc1OC.
What is the InChIKey of (2S)-1-(4-methoxy-3-pyridinyl)-2-(propylamino)propan-1-ol?
The InChIKey is ZNWFJDYRUUOZOW-QHGLUPRGSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-6-14-9(2)12(15)10-8-13-7-5-11(10)16-3/h5,7-9,12,14-15H,4,6H2,1-3H3/t9-,12?/m0/s1.
What are the key properties of (2S)-1-(4-methoxy-3-pyridinyl)-2-(propylamino)propan-1-ol?
(2S)-1-(4-methoxy-3-pyridinyl)-2-(propylamino)propan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methoxy-3-pyridinyl)-2-(propylamino)propan-1-ol is sourced from PubChem (CID 178103113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).