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

C12H20N2O2 — CID 115708937

IUPAC1-ethoxy-N-[(2-methoxy-4-pyridinyl)methyl]propan-2-amine
SMILESCCOCC(C)NCc1ccnc(OC)c1
InChIInChI=1S/C12H20N2O2/c1-4-16-9-10(2)14-8-11-5-6-13-12(7-11)15-3/h5-7,10,14H,4,8-9H2,1-3H3
InChIKeyBQQSVNBFUMFFLG-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.60
Rot. Bonds7

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

1-ethoxy-N-[(2-methoxy-4-pyridinyl)methyl]propan-2-amine (PubChem CID 115708937) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-ethoxy-N-[(2-methoxy-4-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-ethoxy-N-[(2-methoxy-4-pyridinyl)methyl]propan-2-amine
PubChem CID115708937
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-ethoxy-N-[(2-methoxy-4-pyridinyl)methyl]propan-2-amine
SMILESCCOCC(C)NCc1ccnc(OC)c1
InChIInChI=1S/C12H20N2O2/c1-4-16-9-10(2)14-8-11-5-6-13-12(7-11)15-3/h5-7,10,14H,4,8-9H2,1-3H3
InChIKeyBQQSVNBFUMFFLG-UHFFFAOYSA-N
XLogP1.60
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylbutan-2-amine
CID 115708940
1-(4-ethoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 62990560
4-[4-(difluoromethoxy)phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]butan-2-amine
CID 119164981
1-(furan-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]propan-1-amine
CID 62990396
1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549
N-[[2-(1-ethoxypropan-2-yloxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 103490322
N-[(2-methoxy-4-pyridinyl)methyl]-1-phenylbutan-2-amine
CID 79008418
1-(2-methoxy-5-methylphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 62992014
1-ethoxy-N-(furan-3-ylmethyl)propan-2-amine
CID 63204415
2-[(2-methoxy-4-pyridinyl)methylamino]-N-(2-methylbutan-2-yl)propanamide
CID 62990435
2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide
CID 62990968
1-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-methylpropoxy)propan-2-ol
CID 62989552

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-[(2-methoxy-4-pyridinyl)methyl]propan-2-amine?
The IUPAC name of 1-ethoxy-N-[(2-methoxy-4-pyridinyl)methyl]propan-2-amine (CID 115708937) is 1-ethoxy-N-[(2-methoxy-4-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for 1-ethoxy-N-[(2-methoxy-4-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for 1-ethoxy-N-[(2-methoxy-4-pyridinyl)methyl]propan-2-amine is CCOCC(C)NCc1ccnc(OC)c1.
What is the InChIKey of 1-ethoxy-N-[(2-methoxy-4-pyridinyl)methyl]propan-2-amine?
The InChIKey is BQQSVNBFUMFFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-16-9-10(2)14-8-11-5-6-13-12(7-11)15-3/h5-7,10,14H,4,8-9H2,1-3H3.
What are the key properties of 1-ethoxy-N-[(2-methoxy-4-pyridinyl)methyl]propan-2-amine?
1-ethoxy-N-[(2-methoxy-4-pyridinyl)methyl]propan-2-amine has a molecular weight of 224.30 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-[(2-methoxy-4-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 115708937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).