2-methoxy-N-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine

C12H20N2O — CID 116715414

IUPAC2-methoxy-N-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine
SMILESCCC(OC)C(NC)c1cnccc1C
InChIInChI=1S/C12H20N2O/c1-5-11(15-4)12(13-3)10-8-14-7-6-9(10)2/h6-8,11-13H,5H2,1-4H3
InChIKeyZXLPVLBACXOLNP-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.08
Rot. Bonds5

About 2-methoxy-N-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine

2-methoxy-N-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine (PubChem CID 116715414) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-methoxy-N-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine
PubChem CID116715414
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-methoxy-N-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine
SMILESCCC(OC)C(NC)c1cnccc1C
InChIInChI=1S/C12H20N2O/c1-5-11(15-4)12(13-3)10-8-14-7-6-9(10)2/h6-8,11-13H,5H2,1-4H3
InChIKeyZXLPVLBACXOLNP-UHFFFAOYSA-N
XLogP2.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-1-(4-methyl-3-pyridinyl)pentan-1-amine
CID 105006266
1-isoquinolin-8-yl-2-methoxy-N-methylpentan-1-amine
CID 103143798
4-methoxy-N-methyl-1-(4-methyl-3-pyridinyl)pentan-1-amine
CID 105164243
1-(2-fluoro-5-methylphenyl)-2-methoxy-N-methylbutan-1-amine
CID 116715348
N-ethyl-2-methoxy-1-(4-methyl-3-pyridinyl)-2-phenylethanamine
CID 116773113
2-methoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116715413
1-isoquinolin-8-yl-2-methoxy-N-propylbutan-1-amine
CID 103143789
3-(diethoxymethyl)-4-methylpyridine
CID 55269894
2-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)butan-1-amine
CID 116715354
N,2,2-trimethyl-1-(4-methyl-3-pyridinyl)propan-1-amine
CID 66271629
2-methoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine
CID 106680928
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-N-methylbutan-1-amine
CID 106881987

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine?
The IUPAC name of 2-methoxy-N-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine (CID 116715414) is 2-methoxy-N-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine.
What is the SMILES notation for 2-methoxy-N-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine?
The canonical SMILES for 2-methoxy-N-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine is CCC(OC)C(NC)c1cnccc1C.
What is the InChIKey of 2-methoxy-N-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine?
The InChIKey is ZXLPVLBACXOLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-5-11(15-4)12(13-3)10-8-14-7-6-9(10)2/h6-8,11-13H,5H2,1-4H3.
What are the key properties of 2-methoxy-N-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine?
2-methoxy-N-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine has a molecular weight of 208.31 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine is sourced from PubChem (CID 116715414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).