(3S)-3-amino-3-(6-ethoxy-3-pyridinyl)propan-1-ol

C10H16N2O2 — CID 55269772

IUPAC(3S)-3-amino-3-(6-ethoxy-3-pyridinyl)propan-1-ol
SMILESCCOc1ccc([C@@H](N)CCO)cn1
InChIInChI=1S/C10H16N2O2/c1-2-14-10-4-3-8(7-12-10)9(11)5-6-13/h3-4,7,9,13H,2,5-6,11H2,1H3/t9-/m0/s1
InChIKeyILXUOXXHMVLVDJ-VIFPVBQESA-N
MW196.25 g/mol
LogP0.86
Rot. Bonds5

About (3S)-3-amino-3-(6-ethoxy-3-pyridinyl)propan-1-ol

(3S)-3-amino-3-(6-ethoxy-3-pyridinyl)propan-1-ol (PubChem CID 55269772) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (3S)-3-amino-3-(6-ethoxy-3-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name(3S)-3-amino-3-(6-ethoxy-3-pyridinyl)propan-1-ol
PubChem CID55269772
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(3S)-3-amino-3-(6-ethoxy-3-pyridinyl)propan-1-ol
SMILESCCOc1ccc([C@@H](N)CCO)cn1
InChIInChI=1S/C10H16N2O2/c1-2-14-10-4-3-8(7-12-10)9(11)5-6-13/h3-4,7,9,13H,2,5-6,11H2,1H3/t9-/m0/s1
InChIKeyILXUOXXHMVLVDJ-VIFPVBQESA-N
XLogP0.86
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-3-amino-3-(6-ethoxy-3-pyridinyl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;hydrochloride
CID 170874858
(3R)-3-(6-ethoxy-3-pyridinyl)butan-1-ol
CID 145499112
(1S)-1-(6-ethoxy-3-pyridinyl)ethane-1,2-diamine
CID 55275153
1-(6-ethoxy-3-pyridinyl)butane-1,2,4-triol
CID 171872420
3-amino-3-(4-ethoxyphenyl)propan-1-ol
CID 3846701
3-amino-3-(6-phenoxy-3-pyridinyl)propan-1-ol;hydrochloride
CID 170875135
3-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol;ethane
CID 145489922
1-(6-ethoxy-3-pyridinyl)prop-2-en-1-amine
CID 55294382
3-amino-1-(6-ethoxy-3-pyridinyl)propane-1,2-diol
CID 170828157
(3R)-3-amino-3-(6-bromo-3-pyridinyl)propan-1-ol;hydrochloride
CID 171203341
(1R)-1-(6-methoxy-3-pyridinyl)pentan-1-amine
CID 55278684
(1R)-1-(6-methoxy-3-pyridinyl)propane-1,3-diamine;hydrochloride
CID 171203594

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(6-ethoxy-3-pyridinyl)propan-1-ol?
The IUPAC name of (3S)-3-amino-3-(6-ethoxy-3-pyridinyl)propan-1-ol (CID 55269772) is (3S)-3-amino-3-(6-ethoxy-3-pyridinyl)propan-1-ol.
What is the SMILES notation for (3S)-3-amino-3-(6-ethoxy-3-pyridinyl)propan-1-ol?
The canonical SMILES for (3S)-3-amino-3-(6-ethoxy-3-pyridinyl)propan-1-ol is CCOc1ccc([C@@H](N)CCO)cn1.
What is the InChIKey of (3S)-3-amino-3-(6-ethoxy-3-pyridinyl)propan-1-ol?
The InChIKey is ILXUOXXHMVLVDJ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-14-10-4-3-8(7-12-10)9(11)5-6-13/h3-4,7,9,13H,2,5-6,11H2,1H3/t9-/m0/s1.
What are the key properties of (3S)-3-amino-3-(6-ethoxy-3-pyridinyl)propan-1-ol?
(3S)-3-amino-3-(6-ethoxy-3-pyridinyl)propan-1-ol has a molecular weight of 196.25 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(6-ethoxy-3-pyridinyl)propan-1-ol is sourced from PubChem (CID 55269772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).