(3S)-3-amino-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropan-1-ol

C11H18N2O2 — CID 171247598

IUPAC(3S)-3-amino-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropan-1-ol
SMILESCOc1ccc([C@H](N)C(C)(C)CO)cn1
InChIInChI=1S/C11H18N2O2/c1-11(2,7-14)10(12)8-4-5-9(15-3)13-6-8/h4-6,10,14H,7,12H2,1-3H3/t10-/m0/s1
InChIKeyAHGWLWQHILRKIK-JTQLQIEISA-N
MW210.28 g/mol
LogP1.11
Rot. Bonds4

About (3S)-3-amino-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropan-1-ol

(3S)-3-amino-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropan-1-ol (PubChem CID 171247598) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (3S)-3-amino-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name(3S)-3-amino-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropan-1-ol
PubChem CID171247598
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(3S)-3-amino-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropan-1-ol
SMILESCOc1ccc([C@H](N)C(C)(C)CO)cn1
InChIInChI=1S/C11H18N2O2/c1-11(2,7-14)10(12)8-4-5-9(15-3)13-6-8/h4-6,10,14H,7,12H2,1-3H3/t10-/m0/s1
InChIKeyAHGWLWQHILRKIK-JTQLQIEISA-N
XLogP1.11
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-3-amino-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropan-1-ol with MolForge

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Related Compounds

(3R)-3-amino-3-(6-bromo-3-pyridinyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171240763
3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;hydrochloride
CID 170874858
(1S)-1-amino-1-(6-methoxy-3-pyridinyl)propan-2-ol
CID 130700644
1-(6-methoxy-3-pyridinyl)-2-methylpropane-1,2-diol
CID 58380617
3,3,3-trifluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine
CID 112693379
2-amino-1-(6-methoxy-3-pyridinyl)butan-1-ol
CID 114937489
(1R)-1-(6-methoxy-3-pyridinyl)propane-1,3-diamine;hydrochloride
CID 171203594
4-amino-3-(6-methoxy-3-pyridinyl)butan-1-ol
CID 114938817
3-hydroxy-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoic acid
CID 114938478
(3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 7016830
3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 18000263
bis(6-methoxy-3-pyridinyl)methanol;ethane
CID 145185177

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropan-1-ol?
The IUPAC name of (3S)-3-amino-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropan-1-ol (CID 171247598) is (3S)-3-amino-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for (3S)-3-amino-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for (3S)-3-amino-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropan-1-ol is COc1ccc([C@H](N)C(C)(C)CO)cn1.
What is the InChIKey of (3S)-3-amino-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropan-1-ol?
The InChIKey is AHGWLWQHILRKIK-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18N2O2/c1-11(2,7-14)10(12)8-4-5-9(15-3)13-6-8/h4-6,10,14H,7,12H2,1-3H3/t10-/m0/s1.
What are the key properties of (3S)-3-amino-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropan-1-ol?
(3S)-3-amino-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropan-1-ol has a molecular weight of 210.28 g/mol, XLogP of 1.11, 4 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-methoxy-3-pyridinyl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 171247598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).