(1S)-1-(2,6-dimethyl-3-pyridinyl)-2-methoxyethanamine

C10H16N2O — CID 55294133

IUPAC(1S)-1-(2,6-dimethyl-3-pyridinyl)-2-methoxyethanamine
SMILESCOC[C@@H](N)c1ccc(C)nc1C
InChIInChI=1S/C10H16N2O/c1-7-4-5-9(8(2)12-7)10(11)6-13-3/h4-5,10H,6,11H2,1-3H3/t10-/m1/s1
InChIKeyMRIBCWKZXBDAGJ-SNVBAGLBSA-N
MW180.25 g/mol
LogP1.34
Rot. Bonds3

About (1S)-1-(2,6-dimethyl-3-pyridinyl)-2-methoxyethanamine

(1S)-1-(2,6-dimethyl-3-pyridinyl)-2-methoxyethanamine (PubChem CID 55294133) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (1S)-1-(2,6-dimethyl-3-pyridinyl)-2-methoxyethanamine.

Molecular Properties

Compound Name(1S)-1-(2,6-dimethyl-3-pyridinyl)-2-methoxyethanamine
PubChem CID55294133
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(1S)-1-(2,6-dimethyl-3-pyridinyl)-2-methoxyethanamine
SMILESCOC[C@@H](N)c1ccc(C)nc1C
InChIInChI=1S/C10H16N2O/c1-7-4-5-9(8(2)12-7)10(11)6-13-3/h4-5,10H,6,11H2,1-3H3/t10-/m1/s1
InChIKeyMRIBCWKZXBDAGJ-SNVBAGLBSA-N
XLogP1.34
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(2,6-dimethyl-3-pyridinyl)ethanol
CID 96740448
3-amino-3-(2,6-dimethyl-3-pyridinyl)propanoic acid
CID 55296014
1-(2,6-dimethyl-3-pyridinyl)pent-3-yn-1-amine
CID 105112231
1-(2,6-dimethyl-3-pyridinyl)-3-methylidenepentan-1-amine
CID 105163949
1-(2,6-dimethyl-4-pyridinyl)-2-methoxyethanamine
CID 107503103
6-[(1R)-1-amino-2-methoxyethyl]-2,3-dimethylaniline
CID 130914275
(1R)-2-methoxy-1-(4-methyl-3-pyridinyl)ethanamine
CID 55292197
1-(2,6-dimethyl-3-pyridinyl)-2-propoxyethanol
CID 105111964
(1R,2S)-1-amino-1-(2,6-dimethyl-3-pyridinyl)propan-2-ol
CID 55292437
(1S)-1-(3-chloro-2-methylphenyl)-2-methoxyethanamine
CID 131080663
2-[(1S)-1-amino-2-methoxyethyl]-5-methylphenol
CID 55293424
2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
CID 105110930

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,6-dimethyl-3-pyridinyl)-2-methoxyethanamine?
The IUPAC name of (1S)-1-(2,6-dimethyl-3-pyridinyl)-2-methoxyethanamine (CID 55294133) is (1S)-1-(2,6-dimethyl-3-pyridinyl)-2-methoxyethanamine.
What is the SMILES notation for (1S)-1-(2,6-dimethyl-3-pyridinyl)-2-methoxyethanamine?
The canonical SMILES for (1S)-1-(2,6-dimethyl-3-pyridinyl)-2-methoxyethanamine is COC[C@@H](N)c1ccc(C)nc1C.
What is the InChIKey of (1S)-1-(2,6-dimethyl-3-pyridinyl)-2-methoxyethanamine?
The InChIKey is MRIBCWKZXBDAGJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7-4-5-9(8(2)12-7)10(11)6-13-3/h4-5,10H,6,11H2,1-3H3/t10-/m1/s1.
What are the key properties of (1S)-1-(2,6-dimethyl-3-pyridinyl)-2-methoxyethanamine?
(1S)-1-(2,6-dimethyl-3-pyridinyl)-2-methoxyethanamine has a molecular weight of 180.25 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,6-dimethyl-3-pyridinyl)-2-methoxyethanamine is sourced from PubChem (CID 55294133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).