2-methoxy-N-[(2-methyl-6-propan-2-yl-3-pyridinyl)methyl]ethanamine

C13H22N2O — CID 82452119

IUPAC2-methoxy-N-[(2-methyl-6-propan-2-yl-3-pyridinyl)methyl]ethanamine
SMILESCOCCNCc1ccc(C(C)C)nc1C
InChIInChI=1S/C13H22N2O/c1-10(2)13-6-5-12(11(3)15-13)9-14-7-8-16-4/h5-6,10,14H,7-9H2,1-4H3
InChIKeyCKCCZTZSLNKLJT-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.25
Rot. Bonds6

About 2-methoxy-N-[(2-methyl-6-propan-2-yl-3-pyridinyl)methyl]ethanamine

2-methoxy-N-[(2-methyl-6-propan-2-yl-3-pyridinyl)methyl]ethanamine (PubChem CID 82452119) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-methoxy-N-[(2-methyl-6-propan-2-yl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(2-methyl-6-propan-2-yl-3-pyridinyl)methyl]ethanamine
PubChem CID82452119
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-methoxy-N-[(2-methyl-6-propan-2-yl-3-pyridinyl)methyl]ethanamine
SMILESCOCCNCc1ccc(C(C)C)nc1C
InChIInChI=1S/C13H22N2O/c1-10(2)13-6-5-12(11(3)15-13)9-14-7-8-16-4/h5-6,10,14H,7-9H2,1-4H3
InChIKeyCKCCZTZSLNKLJT-UHFFFAOYSA-N
XLogP2.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,3-difluoro-4-methylphenyl)methyl]-2-methoxyethanamine
CID 107513371
2-methoxy-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 66442658
2-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63070903
2-methoxy-N-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]ethanamine
CID 62745007
N-[[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 63070769
5-chloro-2-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 114849967
1-butyl-3-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridin-2-one
CID 82524343
N-[[4-chloro-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]-2-methoxyethanamine
CID 106926720
2-[4-[(2-methoxyethylamino)methyl]-3-methyl-N-propan-2-ylanilino]acetamide
CID 63072063
N-[[4-bromo-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]-2-methoxyethanamine
CID 106926816
2-butyl-4-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridazin-3-one
CID 82443309
N-[(4-butan-2-ylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine
CID 63806928

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2-methyl-6-propan-2-yl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(2-methyl-6-propan-2-yl-3-pyridinyl)methyl]ethanamine (CID 82452119) is 2-methoxy-N-[(2-methyl-6-propan-2-yl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(2-methyl-6-propan-2-yl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(2-methyl-6-propan-2-yl-3-pyridinyl)methyl]ethanamine is COCCNCc1ccc(C(C)C)nc1C.
What is the InChIKey of 2-methoxy-N-[(2-methyl-6-propan-2-yl-3-pyridinyl)methyl]ethanamine?
The InChIKey is CKCCZTZSLNKLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10(2)13-6-5-12(11(3)15-13)9-14-7-8-16-4/h5-6,10,14H,7-9H2,1-4H3.
What are the key properties of 2-methoxy-N-[(2-methyl-6-propan-2-yl-3-pyridinyl)methyl]ethanamine?
2-methoxy-N-[(2-methyl-6-propan-2-yl-3-pyridinyl)methyl]ethanamine has a molecular weight of 222.33 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2-methyl-6-propan-2-yl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 82452119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).