1-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-2-amine

C12H20N2O — CID 114698935

IUPAC1-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-2-amine
SMILESCCOCC(C)NCc1ccncc1C
InChIInChI=1S/C12H20N2O/c1-4-15-9-11(3)14-8-12-5-6-13-7-10(12)2/h5-7,11,14H,4,8-9H2,1-3H3
InChIKeyPIFOVSUJVUHWBG-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.90
Rot. Bonds6

About 1-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-2-amine

1-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-2-amine (PubChem CID 114698935) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-2-amine
PubChem CID114698935
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-2-amine
SMILESCCOCC(C)NCc1ccncc1C
InChIInChI=1S/C12H20N2O/c1-4-15-9-11(3)14-8-12-5-6-13-7-10(12)2/h5-7,11,14H,4,8-9H2,1-3H3
InChIKeyPIFOVSUJVUHWBG-UHFFFAOYSA-N
XLogP1.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]butan-2-amine
CID 114698943
methyl 3-[(3-methyl-4-pyridinyl)methylamino]butanoate
CID 114699901
2-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
CID 114699562
N-[(3-methyl-4-pyridinyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 114699302
1-(furan-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine
CID 114698636
2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine
CID 114699579
3-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butanamide
CID 114700230
ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 144800365
5-[1-[(3-methyl-4-pyridinyl)methylamino]ethyl]benzene-1,3-diol
CID 107707313
1-(2-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
CID 114698542
N-[(3-methyl-4-pyridinyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 114699058
1-ethoxy-N-[(2-methoxy-4-pyridinyl)methyl]propan-2-amine
CID 115708937

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-2-amine?
The IUPAC name of 1-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-2-amine (CID 114698935) is 1-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for 1-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for 1-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-2-amine is CCOCC(C)NCc1ccncc1C.
What is the InChIKey of 1-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-2-amine?
The InChIKey is PIFOVSUJVUHWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-15-9-11(3)14-8-12-5-6-13-7-10(12)2/h5-7,11,14H,4,8-9H2,1-3H3.
What are the key properties of 1-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-2-amine?
1-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-2-amine has a molecular weight of 208.31 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 114698935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).