(2S,3R)-4-methoxy-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-methylbutan-2-amine

C15H26N2O3 — CID 97341149

IUPAC(2S,3R)-4-methoxy-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-methylbutan-2-amine
SMILESCOCCOc1ccc(CN[C@@H](C)[C@@H](C)COC)cn1
InChIInChI=1S/C15H26N2O3/c1-12(11-19-4)13(2)16-9-14-5-6-15(17-10-14)20-8-7-18-3/h5-6,10,12-13,16H,7-9,11H2,1-4H3/t12-,13-/m0/s1
InChIKeyGISCFEXRJDXMER-STQMWFEESA-N
MW282.38 g/mol
LogP1.87
Rot. Bonds10

About (2S,3R)-4-methoxy-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-methylbutan-2-amine

(2S,3R)-4-methoxy-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-methylbutan-2-amine (PubChem CID 97341149) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (2S,3R)-4-methoxy-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-methylbutan-2-amine.

Molecular Properties

Compound Name(2S,3R)-4-methoxy-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-methylbutan-2-amine
PubChem CID97341149
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(2S,3R)-4-methoxy-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-methylbutan-2-amine
SMILESCOCCOc1ccc(CN[C@@H](C)[C@@H](C)COC)cn1
InChIInChI=1S/C15H26N2O3/c1-12(11-19-4)13(2)16-9-14-5-6-15(17-10-14)20-8-7-18-3/h5-6,10,12-13,16H,7-9,11H2,1-4H3/t12-,13-/m0/s1
InChIKeyGISCFEXRJDXMER-STQMWFEESA-N
XLogP1.87
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[6-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]propan-2-amine
CID 103180844
ethane;5-ethyl-2-(2-methoxyethoxy)pyridine
CID 144506975
N-[[6-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62289960
N-[[6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 103405583
1-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropan-1-ol
CID 15067080
2-(2-cyanophenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]propanamide
CID 55783770
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]furan-2-carboxamide
CID 47042423
ethyl 2-[(6-methoxy-3-pyridinyl)methylamino]propanoate
CID 62989922
N-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62297202
(3S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 97230209
methyl 2-[(6-methoxy-3-pyridinyl)methylamino]-3-methylpentanoate
CID 104578651
4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]benzene-1,2-diol
CID 43688357

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4-methoxy-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-methylbutan-2-amine?
The IUPAC name of (2S,3R)-4-methoxy-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-methylbutan-2-amine (CID 97341149) is (2S,3R)-4-methoxy-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-methylbutan-2-amine.
What is the SMILES notation for (2S,3R)-4-methoxy-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-methylbutan-2-amine?
The canonical SMILES for (2S,3R)-4-methoxy-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-methylbutan-2-amine is COCCOc1ccc(CN[C@@H](C)[C@@H](C)COC)cn1.
What is the InChIKey of (2S,3R)-4-methoxy-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-methylbutan-2-amine?
The InChIKey is GISCFEXRJDXMER-STQMWFEESA-N. The full InChI is InChI=1S/C15H26N2O3/c1-12(11-19-4)13(2)16-9-14-5-6-15(17-10-14)20-8-7-18-3/h5-6,10,12-13,16H,7-9,11H2,1-4H3/t12-,13-/m0/s1.
What are the key properties of (2S,3R)-4-methoxy-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-methylbutan-2-amine?
(2S,3R)-4-methoxy-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-methylbutan-2-amine has a molecular weight of 282.38 g/mol, XLogP of 1.87, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-4-methoxy-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-methylbutan-2-amine is sourced from PubChem (CID 97341149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).