1-(5-ethoxy-3-pyridinyl)-2,2-difluoro-N-methylethanamine

C10H14F2N2O — CID 103517001

IUPAC1-(5-ethoxy-3-pyridinyl)-2,2-difluoro-N-methylethanamine
SMILESCCOc1cncc(C(NC)C(F)F)c1
InChIInChI=1S/C10H14F2N2O/c1-3-15-8-4-7(5-14-6-8)9(13-2)10(11)12/h4-6,9-10,13H,3H2,1-2H3
InChIKeyIJABXJOQSHGPKW-UHFFFAOYSA-N
MW216.23 g/mol
LogP2.01
Rot. Bonds5

About 1-(5-ethoxy-3-pyridinyl)-2,2-difluoro-N-methylethanamine

1-(5-ethoxy-3-pyridinyl)-2,2-difluoro-N-methylethanamine (PubChem CID 103517001) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is 1-(5-ethoxy-3-pyridinyl)-2,2-difluoro-N-methylethanamine.

Molecular Properties

Compound Name1-(5-ethoxy-3-pyridinyl)-2,2-difluoro-N-methylethanamine
PubChem CID103517001
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name1-(5-ethoxy-3-pyridinyl)-2,2-difluoro-N-methylethanamine
SMILESCCOc1cncc(C(NC)C(F)F)c1
InChIInChI=1S/C10H14F2N2O/c1-3-15-8-4-7(5-14-6-8)9(13-2)10(11)12/h4-6,9-10,13H,3H2,1-2H3
InChIKeyIJABXJOQSHGPKW-UHFFFAOYSA-N
XLogP2.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-2,2-difluoro-N-methylethanamine
CID 80604791
1-(3,5-dimethylphenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
CID 105026319
1-(5-ethoxy-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine
CID 103374323
1-(4-bromo-3-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
CID 105026336
3-(2,2-difluoroethoxy)-5-ethoxypyridine
CID 150828183
1-(5-ethoxy-3-pyridinyl)-3-ethylpentane-1,2-diol
CID 103459699
1-(2,5-dichlorothiophen-3-yl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
CID 107968897
2-ethoxy-1-(5-ethoxy-3-pyridinyl)-N-ethylpentan-1-amine
CID 116717966
1-(3-chloro-4-iodophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
CID 103216066
1-(5-ethoxy-3-pyridinyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine
CID 116770057
2-(5-ethoxy-3-pyridinyl)-3-methylbutan-1-amine
CID 83884024
1-(5-ethoxy-3-pyridinyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 105026304

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-3-pyridinyl)-2,2-difluoro-N-methylethanamine?
The IUPAC name of 1-(5-ethoxy-3-pyridinyl)-2,2-difluoro-N-methylethanamine (CID 103517001) is 1-(5-ethoxy-3-pyridinyl)-2,2-difluoro-N-methylethanamine.
What is the SMILES notation for 1-(5-ethoxy-3-pyridinyl)-2,2-difluoro-N-methylethanamine?
The canonical SMILES for 1-(5-ethoxy-3-pyridinyl)-2,2-difluoro-N-methylethanamine is CCOc1cncc(C(NC)C(F)F)c1.
What is the InChIKey of 1-(5-ethoxy-3-pyridinyl)-2,2-difluoro-N-methylethanamine?
The InChIKey is IJABXJOQSHGPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c1-3-15-8-4-7(5-14-6-8)9(13-2)10(11)12/h4-6,9-10,13H,3H2,1-2H3.
What are the key properties of 1-(5-ethoxy-3-pyridinyl)-2,2-difluoro-N-methylethanamine?
1-(5-ethoxy-3-pyridinyl)-2,2-difluoro-N-methylethanamine has a molecular weight of 216.23 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-3-pyridinyl)-2,2-difluoro-N-methylethanamine is sourced from PubChem (CID 103517001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).