3-(5-ethoxy-3-pyridinyl)-N-methylaniline

C14H16N2O — CID 106505817

IUPAC3-(5-ethoxy-3-pyridinyl)-N-methylaniline
SMILESCCOc1cncc(-c2cccc(NC)c2)c1
InChIInChI=1S/C14H16N2O/c1-3-17-14-8-12(9-16-10-14)11-5-4-6-13(7-11)15-2/h4-10,15H,3H2,1-2H3
InChIKeyFDZJUWWLBBTDNK-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.19
Rot. Bonds4

About 3-(5-ethoxy-3-pyridinyl)-N-methylaniline

3-(5-ethoxy-3-pyridinyl)-N-methylaniline (PubChem CID 106505817) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-(5-ethoxy-3-pyridinyl)-N-methylaniline.

Molecular Properties

Compound Name3-(5-ethoxy-3-pyridinyl)-N-methylaniline
PubChem CID106505817
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name3-(5-ethoxy-3-pyridinyl)-N-methylaniline
SMILESCCOc1cncc(-c2cccc(NC)c2)c1
InChIInChI=1S/C14H16N2O/c1-3-17-14-8-12(9-16-10-14)11-5-4-6-13(7-11)15-2/h4-10,15H,3H2,1-2H3
InChIKeyFDZJUWWLBBTDNK-UHFFFAOYSA-N
XLogP3.19
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[4-(5-ethoxy-3-pyridinyl)phenyl]benzoate
CID 171698039
N-(3-ethoxyphenyl)-5-phenylpyridine-3-carboxamide
CID 174738828
2-(5-ethoxy-3-pyridinyl)-1H-pyridin-4-one
CID 106520631
4-(4-ethoxyphenyl)-N-methylaniline
CID 83643476
N-methyl-3-(1,3,5-triazin-2-yl)aniline
CID 82468537
3-methyl-5-(3-propoxyphenyl)pyridine
CID 143608383
3-[(2,4-dimethylphenoxy)methyl]-5-(3-ethoxyphenyl)pyridine
CID 42851644
4-(3-ethoxyphenyl)-1H-pyridazin-6-one
CID 106519861
4-(3-ethoxyphenyl)-N,N-diethylaniline
CID 11231008
1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 61280554
N-(3-ethoxyphenyl)hydroxylamine
CID 13347158
2-(5-ethoxy-3-pyridinyl)-5-fluorophenol
CID 83131100

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethoxy-3-pyridinyl)-N-methylaniline?
The IUPAC name of 3-(5-ethoxy-3-pyridinyl)-N-methylaniline (CID 106505817) is 3-(5-ethoxy-3-pyridinyl)-N-methylaniline.
What is the SMILES notation for 3-(5-ethoxy-3-pyridinyl)-N-methylaniline?
The canonical SMILES for 3-(5-ethoxy-3-pyridinyl)-N-methylaniline is CCOc1cncc(-c2cccc(NC)c2)c1.
What is the InChIKey of 3-(5-ethoxy-3-pyridinyl)-N-methylaniline?
The InChIKey is FDZJUWWLBBTDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-3-17-14-8-12(9-16-10-14)11-5-4-6-13(7-11)15-2/h4-10,15H,3H2,1-2H3.
What are the key properties of 3-(5-ethoxy-3-pyridinyl)-N-methylaniline?
3-(5-ethoxy-3-pyridinyl)-N-methylaniline has a molecular weight of 228.29 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethoxy-3-pyridinyl)-N-methylaniline is sourced from PubChem (CID 106505817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).