3-[2-(dimethylamino)ethoxy]-5-(2-methyl-4-pyridinyl)aniline

C16H21N3O — CID 67496300

IUPAC3-[2-(dimethylamino)ethoxy]-5-(2-methyl-4-pyridinyl)aniline
SMILESCc1cc(-c2cc(N)cc(OCCN(C)C)c2)ccn1
InChIInChI=1S/C16H21N3O/c1-12-8-13(4-5-18-12)14-9-15(17)11-16(10-14)20-7-6-19(2)3/h4-5,8-11H,6-7,17H2,1-3H3
InChIKeyNKTJAEYQSDUQHL-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.58
Rot. Bonds5

About 3-[2-(dimethylamino)ethoxy]-5-(2-methyl-4-pyridinyl)aniline

3-[2-(dimethylamino)ethoxy]-5-(2-methyl-4-pyridinyl)aniline (PubChem CID 67496300) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethoxy]-5-(2-methyl-4-pyridinyl)aniline.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethoxy]-5-(2-methyl-4-pyridinyl)aniline
PubChem CID67496300
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-[2-(dimethylamino)ethoxy]-5-(2-methyl-4-pyridinyl)aniline
SMILESCc1cc(-c2cc(N)cc(OCCN(C)C)c2)ccn1
InChIInChI=1S/C16H21N3O/c1-12-8-13(4-5-18-12)14-9-15(17)11-16(10-14)20-7-6-19(2)3/h4-5,8-11H,6-7,17H2,1-3H3
InChIKeyNKTJAEYQSDUQHL-UHFFFAOYSA-N
XLogP2.58
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-(dimethylamino)ethoxy]-5-(2-methyl-4-pyridinyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethoxy]-5-(2-methyl-4-pyridinyl)aniline?
The IUPAC name of 3-[2-(dimethylamino)ethoxy]-5-(2-methyl-4-pyridinyl)aniline (CID 67496300) is 3-[2-(dimethylamino)ethoxy]-5-(2-methyl-4-pyridinyl)aniline.
What is the SMILES notation for 3-[2-(dimethylamino)ethoxy]-5-(2-methyl-4-pyridinyl)aniline?
The canonical SMILES for 3-[2-(dimethylamino)ethoxy]-5-(2-methyl-4-pyridinyl)aniline is Cc1cc(-c2cc(N)cc(OCCN(C)C)c2)ccn1.
What is the InChIKey of 3-[2-(dimethylamino)ethoxy]-5-(2-methyl-4-pyridinyl)aniline?
The InChIKey is NKTJAEYQSDUQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-8-13(4-5-18-12)14-9-15(17)11-16(10-14)20-7-6-19(2)3/h4-5,8-11H,6-7,17H2,1-3H3.
What are the key properties of 3-[2-(dimethylamino)ethoxy]-5-(2-methyl-4-pyridinyl)aniline?
3-[2-(dimethylamino)ethoxy]-5-(2-methyl-4-pyridinyl)aniline has a molecular weight of 271.36 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethoxy]-5-(2-methyl-4-pyridinyl)aniline is sourced from PubChem (CID 67496300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).