3-ethoxy-4-(2-methyl-4-pyridinyl)aniline

C14H16N2O — CID 172651460

IUPAC3-ethoxy-4-(2-methyl-4-pyridinyl)aniline
SMILESCCOc1cc(N)ccc1-c1ccnc(C)c1
InChIInChI=1S/C14H16N2O/c1-3-17-14-9-12(15)4-5-13(14)11-6-7-16-10(2)8-11/h4-9H,3,15H2,1-2H3
InChIKeyIXXPLHGIKMURHQ-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.04
Rot. Bonds3

About 3-ethoxy-4-(2-methyl-4-pyridinyl)aniline

3-ethoxy-4-(2-methyl-4-pyridinyl)aniline (PubChem CID 172651460) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-ethoxy-4-(2-methyl-4-pyridinyl)aniline.

Molecular Properties

Compound Name3-ethoxy-4-(2-methyl-4-pyridinyl)aniline
PubChem CID172651460
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name3-ethoxy-4-(2-methyl-4-pyridinyl)aniline
SMILESCCOc1cc(N)ccc1-c1ccnc(C)c1
InChIInChI=1S/C14H16N2O/c1-3-17-14-9-12(15)4-5-13(14)11-6-7-16-10(2)8-11/h4-9H,3,15H2,1-2H3
InChIKeyIXXPLHGIKMURHQ-UHFFFAOYSA-N
XLogP3.04
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3-ethoxyaniline
CID 7015503
4-amino-2-ethoxyphenol
CID 12856010
4-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-ethoxyaniline
CID 173165419
3-(3-aminophenyl)-4-ethoxyaniline
CID 68787828
2,5-difluoro-4-(2-methyl-4-pyridinyl)aniline
CID 107616009
4-(4-ethoxy-3-fluorophenyl)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine
CID 142578077
3-(2-methoxyethoxy)-5-(2-methyl-4-pyridinyl)aniline
CID 172651452
4-ethoxy-3-(5-methyl-1H-pyrazol-3-yl)aniline
CID 166276038
5-bromo-3-(2-methyl-4-pyridinyl)pyridin-2-amine
CID 118470305
3-(diethylaminomethyl)-4-ethoxyaniline
CID 12703368
3-[2-(dimethylamino)ethoxy]-5-(2-methyl-4-pyridinyl)aniline
CID 67496300
5-(aminomethyl)-2-(2-methyl-4-pyridinyl)benzonitrile
CID 164941096

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-(2-methyl-4-pyridinyl)aniline?
The IUPAC name of 3-ethoxy-4-(2-methyl-4-pyridinyl)aniline (CID 172651460) is 3-ethoxy-4-(2-methyl-4-pyridinyl)aniline.
What is the SMILES notation for 3-ethoxy-4-(2-methyl-4-pyridinyl)aniline?
The canonical SMILES for 3-ethoxy-4-(2-methyl-4-pyridinyl)aniline is CCOc1cc(N)ccc1-c1ccnc(C)c1.
What is the InChIKey of 3-ethoxy-4-(2-methyl-4-pyridinyl)aniline?
The InChIKey is IXXPLHGIKMURHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-3-17-14-9-12(15)4-5-13(14)11-6-7-16-10(2)8-11/h4-9H,3,15H2,1-2H3.
What are the key properties of 3-ethoxy-4-(2-methyl-4-pyridinyl)aniline?
3-ethoxy-4-(2-methyl-4-pyridinyl)aniline has a molecular weight of 228.29 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-(2-methyl-4-pyridinyl)aniline is sourced from PubChem (CID 172651460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).