1-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine

C14H24N2O2 — CID 103271063

IUPAC1-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
SMILESCCOCC(NCc1ccc(OC)nc1)C(C)C
InChIInChI=1S/C14H24N2O2/c1-5-18-10-13(11(2)3)15-8-12-6-7-14(17-4)16-9-12/h6-7,9,11,13,15H,5,8,10H2,1-4H3
InChIKeyZPNLVIZDVMVQHU-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.24
Rot. Bonds8

About 1-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine

1-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine (PubChem CID 103271063) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
PubChem CID103271063
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
SMILESCCOCC(NCc1ccc(OC)nc1)C(C)C
InChIInChI=1S/C14H24N2O2/c1-5-18-10-13(11(2)3)15-8-12-6-7-14(17-4)16-9-12/h6-7,9,11,13,15H,5,8,10H2,1-4H3
InChIKeyZPNLVIZDVMVQHU-UHFFFAOYSA-N
XLogP2.24
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethoxy-1-(6-methoxy-3-pyridinyl)methanamine
CID 115685988
ethyl 2-[(6-methoxy-3-pyridinyl)methylamino]propanoate
CID 62989922
N-[(6-methoxy-3-pyridinyl)methyl]heptan-3-amine
CID 63946078
N-[(4-chlorophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271048
[1-(6-methoxy-3-pyridinyl)-3-methylbutan-2-yl]hydrazine
CID 105250512
1,2,2-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 175358714
(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712225
(1R)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712228
3-[(6-methoxy-3-pyridinyl)methylamino]butanenitrile
CID 62991342
2-[(6-methoxy-3-pyridinyl)methylamino]propanamide
CID 60711228
methyl 2-[(6-methoxy-3-pyridinyl)methylamino]-3-methylpentanoate
CID 104578651
methyl 2-[(6-methoxy-3-pyridinyl)methylamino]butanoate
CID 113292334

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine?
The IUPAC name of 1-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine (CID 103271063) is 1-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine.
What is the SMILES notation for 1-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine?
The canonical SMILES for 1-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine is CCOCC(NCc1ccc(OC)nc1)C(C)C.
What is the InChIKey of 1-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine?
The InChIKey is ZPNLVIZDVMVQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-5-18-10-13(11(2)3)15-8-12-6-7-14(17-4)16-9-12/h6-7,9,11,13,15H,5,8,10H2,1-4H3.
What are the key properties of 1-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine?
1-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine has a molecular weight of 252.36 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine is sourced from PubChem (CID 103271063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).