1-(6-methoxy-2-pyridinyl)-N,3-dimethylbutan-2-amine

C12H20N2O — CID 63588562

IUPAC1-(6-methoxy-2-pyridinyl)-N,3-dimethylbutan-2-amine
SMILESCNC(Cc1cccc(OC)n1)C(C)C
InChIInChI=1S/C12H20N2O/c1-9(2)11(13-3)8-10-6-5-7-12(14-10)15-4/h5-7,9,11,13H,8H2,1-4H3
InChIKeyPJKQNPZJDFMDTH-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.88
Rot. Bonds5

About 1-(6-methoxy-2-pyridinyl)-N,3-dimethylbutan-2-amine

1-(6-methoxy-2-pyridinyl)-N,3-dimethylbutan-2-amine (PubChem CID 63588562) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-(6-methoxy-2-pyridinyl)-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(6-methoxy-2-pyridinyl)-N,3-dimethylbutan-2-amine
PubChem CID63588562
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-(6-methoxy-2-pyridinyl)-N,3-dimethylbutan-2-amine
SMILESCNC(Cc1cccc(OC)n1)C(C)C
InChIInChI=1S/C12H20N2O/c1-9(2)11(13-3)8-10-6-5-7-12(14-10)15-4/h5-7,9,11,13H,8H2,1-4H3
InChIKeyPJKQNPZJDFMDTH-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-3-methylbutan-2-amine
CID 79259192
2-(6-methoxy-2-pyridinyl)-N-methyl-1-phenylethanamine
CID 63586131
1-(6-methoxy-2-pyridinyl)-2-methylpentan-3-one
CID 79416635
N,3-dimethyl-1-pyridazin-3-ylbutan-2-amine
CID 63202272
(1S)-1-(2-methoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 81397060
(1S)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine
CID 81374235
(1R)-1-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 81347461
(1R)-1-(furan-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 81399782
methyl 2-[(6-methoxy-2-pyridinyl)methylamino]propanoate
CID 63986668
2-(aminomethyl)-3-(6-methoxy-2-pyridinyl)propanamide
CID 103347793
3-(6-methoxy-2-pyridinyl)-2-phenylpropanoic acid
CID 79424872
1-(3-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 63986667

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2-pyridinyl)-N,3-dimethylbutan-2-amine?
The IUPAC name of 1-(6-methoxy-2-pyridinyl)-N,3-dimethylbutan-2-amine (CID 63588562) is 1-(6-methoxy-2-pyridinyl)-N,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(6-methoxy-2-pyridinyl)-N,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(6-methoxy-2-pyridinyl)-N,3-dimethylbutan-2-amine is CNC(Cc1cccc(OC)n1)C(C)C.
What is the InChIKey of 1-(6-methoxy-2-pyridinyl)-N,3-dimethylbutan-2-amine?
The InChIKey is PJKQNPZJDFMDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(2)11(13-3)8-10-6-5-7-12(14-10)15-4/h5-7,9,11,13H,8H2,1-4H3.
What are the key properties of 1-(6-methoxy-2-pyridinyl)-N,3-dimethylbutan-2-amine?
1-(6-methoxy-2-pyridinyl)-N,3-dimethylbutan-2-amine has a molecular weight of 208.31 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2-pyridinyl)-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 63588562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).