(1S)-2-methoxy-1-(3-methyl-2-pyridinyl)ethanamine

C9H14N2O — CID 55293686

IUPAC(1S)-2-methoxy-1-(3-methyl-2-pyridinyl)ethanamine
SMILESCOC[C@@H](N)c1ncccc1C
InChIInChI=1S/C9H14N2O/c1-7-4-3-5-11-9(7)8(10)6-12-2/h3-5,8H,6,10H2,1-2H3/t8-/m1/s1
InChIKeyQFNNXQLXFFXLAP-MRVPVSSYSA-N
MW166.22 g/mol
LogP1.04
Rot. Bonds3

About (1S)-2-methoxy-1-(3-methyl-2-pyridinyl)ethanamine

(1S)-2-methoxy-1-(3-methyl-2-pyridinyl)ethanamine (PubChem CID 55293686) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (1S)-2-methoxy-1-(3-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name(1S)-2-methoxy-1-(3-methyl-2-pyridinyl)ethanamine
PubChem CID55293686
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(1S)-2-methoxy-1-(3-methyl-2-pyridinyl)ethanamine
SMILESCOC[C@@H](N)c1ncccc1C
InChIInChI=1S/C9H14N2O/c1-7-4-3-5-11-9(7)8(10)6-12-2/h3-5,8H,6,10H2,1-2H3/t8-/m1/s1
InChIKeyQFNNXQLXFFXLAP-MRVPVSSYSA-N
XLogP1.04
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 55264530
2-amino-2-(3-methyl-2-pyridinyl)ethanethiol
CID 88739390
2-amino-2-(3-methyl-2-pyridinyl)ethanol
CID 55293811
(1S)-3,3,3-trifluoro-1-(3-methyl-2-pyridinyl)propan-1-amine
CID 130713891
3-methoxy-1-(3-methyl-2-pyridinyl)propan-1-ol
CID 114997246
(1S)-2-cyclopropyl-1-(3-methyl-2-pyridinyl)ethanamine
CID 55293023
1-(3-methyl-2-pyridinyl)ethanamine;dihydrochloride
CID 127264674
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methyl-2-pyridinyl)ethanamine
CID 62603573
(1S)-1-(2-fluoro-3-pyridinyl)-2-methoxyethanamine
CID 55294134
2-(1-ethylimidazol-2-yl)-1-(3-methyl-2-pyridinyl)ethanamine
CID 79751489
2-methoxy-1-pyridin-2-ylethanamine;hydrochloride
CID 53398961
1-(3-methyl-2-pyridinyl)-4-methylsulfonylbutan-1-amine
CID 63192413

Frequently Asked Questions

What is the IUPAC name of (1S)-2-methoxy-1-(3-methyl-2-pyridinyl)ethanamine?
The IUPAC name of (1S)-2-methoxy-1-(3-methyl-2-pyridinyl)ethanamine (CID 55293686) is (1S)-2-methoxy-1-(3-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for (1S)-2-methoxy-1-(3-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for (1S)-2-methoxy-1-(3-methyl-2-pyridinyl)ethanamine is COC[C@@H](N)c1ncccc1C.
What is the InChIKey of (1S)-2-methoxy-1-(3-methyl-2-pyridinyl)ethanamine?
The InChIKey is QFNNXQLXFFXLAP-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7-4-3-5-11-9(7)8(10)6-12-2/h3-5,8H,6,10H2,1-2H3/t8-/m1/s1.
What are the key properties of (1S)-2-methoxy-1-(3-methyl-2-pyridinyl)ethanamine?
(1S)-2-methoxy-1-(3-methyl-2-pyridinyl)ethanamine has a molecular weight of 166.22 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methoxy-1-(3-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 55293686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).