3-(2-methoxyethoxy)-5-(2-methyl-4-pyridinyl)aniline

C15H18N2O2 — CID 172651452

IUPAC3-(2-methoxyethoxy)-5-(2-methyl-4-pyridinyl)aniline
SMILESCOCCOc1cc(N)cc(-c2ccnc(C)c2)c1
InChIInChI=1S/C15H18N2O2/c1-11-7-12(3-4-17-11)13-8-14(16)10-15(9-13)19-6-5-18-2/h3-4,7-10H,5-6,16H2,1-2H3
InChIKeyOCMQKMQLRAGYKM-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.66
Rot. Bonds5

About 3-(2-methoxyethoxy)-5-(2-methyl-4-pyridinyl)aniline

3-(2-methoxyethoxy)-5-(2-methyl-4-pyridinyl)aniline (PubChem CID 172651452) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-5-(2-methyl-4-pyridinyl)aniline.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-5-(2-methyl-4-pyridinyl)aniline
PubChem CID172651452
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-(2-methoxyethoxy)-5-(2-methyl-4-pyridinyl)aniline
SMILESCOCCOc1cc(N)cc(-c2ccnc(C)c2)c1
InChIInChI=1S/C15H18N2O2/c1-11-7-12(3-4-17-11)13-8-14(16)10-15(9-13)19-6-5-18-2/h3-4,7-10H,5-6,16H2,1-2H3
InChIKeyOCMQKMQLRAGYKM-UHFFFAOYSA-N
XLogP2.66
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(dimethylamino)ethoxy]-5-(2-methyl-4-pyridinyl)aniline
CID 67496300
3-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)aniline
CID 172651447
3-bromo-5-(2-methoxyethoxy)aniline
CID 103588174
3-methoxy-5-pyridin-4-ylaniline
CID 71490877
1-[3-amino-5-(2-methoxyethoxy)phenyl]ethanone
CID 88985945
3-bromo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline
CID 103588205
[4-(2-methoxyethoxy)-2-pyridinyl]methanamine
CID 62292533
3-ethoxy-4-(2-methyl-4-pyridinyl)aniline
CID 172651460
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridin-4-amine
CID 104559850
2-(2-methoxyethoxy)-5-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]benzonitrile
CID 12991045
4-[3,5-di(tetradecoxy)phenyl]-2-[4-[3,5-di(tetradecoxy)phenyl]-2-pyridinyl]pyridine
CID 132565558
4-(2,6-dimethylphenyl)-2-methylpyridine
CID 126725908

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-5-(2-methyl-4-pyridinyl)aniline?
The IUPAC name of 3-(2-methoxyethoxy)-5-(2-methyl-4-pyridinyl)aniline (CID 172651452) is 3-(2-methoxyethoxy)-5-(2-methyl-4-pyridinyl)aniline.
What is the SMILES notation for 3-(2-methoxyethoxy)-5-(2-methyl-4-pyridinyl)aniline?
The canonical SMILES for 3-(2-methoxyethoxy)-5-(2-methyl-4-pyridinyl)aniline is COCCOc1cc(N)cc(-c2ccnc(C)c2)c1.
What is the InChIKey of 3-(2-methoxyethoxy)-5-(2-methyl-4-pyridinyl)aniline?
The InChIKey is OCMQKMQLRAGYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-7-12(3-4-17-11)13-8-14(16)10-15(9-13)19-6-5-18-2/h3-4,7-10H,5-6,16H2,1-2H3.
What are the key properties of 3-(2-methoxyethoxy)-5-(2-methyl-4-pyridinyl)aniline?
3-(2-methoxyethoxy)-5-(2-methyl-4-pyridinyl)aniline has a molecular weight of 258.32 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-5-(2-methyl-4-pyridinyl)aniline is sourced from PubChem (CID 172651452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).