N-ethoxy-1-(6-methoxy-3-pyridinyl)methanamine

C9H14N2O2 — CID 115685988

IUPACN-ethoxy-1-(6-methoxy-3-pyridinyl)methanamine
SMILESCCONCc1ccc(OC)nc1
InChIInChI=1S/C9H14N2O2/c1-3-13-11-7-8-4-5-9(12-2)10-6-8/h4-6,11H,3,7H2,1-2H3
InChIKeyBPQQBZYORKFMKX-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.13
Rot. Bonds5

About N-ethoxy-1-(6-methoxy-3-pyridinyl)methanamine

N-ethoxy-1-(6-methoxy-3-pyridinyl)methanamine (PubChem CID 115685988) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N-ethoxy-1-(6-methoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-ethoxy-1-(6-methoxy-3-pyridinyl)methanamine
PubChem CID115685988
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN-ethoxy-1-(6-methoxy-3-pyridinyl)methanamine
SMILESCCONCc1ccc(OC)nc1
InChIInChI=1S/C9H14N2O2/c1-3-13-11-7-8-4-5-9(12-2)10-6-8/h4-6,11H,3,7H2,1-2H3
InChIKeyBPQQBZYORKFMKX-UHFFFAOYSA-N
XLogP1.13
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 103271063
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
N-cyclopentyloxy-1-(6-methoxy-3-pyridinyl)methanamine
CID 114936879
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine
CID 28712170
ethyl 2-[(6-methoxy-3-pyridinyl)methylamino]propanoate
CID 62989922
1-(4-methoxyphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 43206327
2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 62989233
N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-5-amine
CID 107588350
2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-diamine
CID 62989885
4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317
1,2,2-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 175358714
1-N-[(6-methoxy-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 114936683

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-1-(6-methoxy-3-pyridinyl)methanamine?
The IUPAC name of N-ethoxy-1-(6-methoxy-3-pyridinyl)methanamine (CID 115685988) is N-ethoxy-1-(6-methoxy-3-pyridinyl)methanamine.
What is the SMILES notation for N-ethoxy-1-(6-methoxy-3-pyridinyl)methanamine?
The canonical SMILES for N-ethoxy-1-(6-methoxy-3-pyridinyl)methanamine is CCONCc1ccc(OC)nc1.
What is the InChIKey of N-ethoxy-1-(6-methoxy-3-pyridinyl)methanamine?
The InChIKey is BPQQBZYORKFMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-13-11-7-8-4-5-9(12-2)10-6-8/h4-6,11H,3,7H2,1-2H3.
What are the key properties of N-ethoxy-1-(6-methoxy-3-pyridinyl)methanamine?
N-ethoxy-1-(6-methoxy-3-pyridinyl)methanamine has a molecular weight of 182.22 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-(6-methoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 115685988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).