4-methyl-2-(2-propoxyethoxy)aniline

C12H19NO2 — CID 26189548

IUPAC4-methyl-2-(2-propoxyethoxy)aniline
SMILESCCCOCCOc1cc(C)ccc1N
InChIInChI=1S/C12H19NO2/c1-3-6-14-7-8-15-12-9-10(2)4-5-11(12)13/h4-5,9H,3,6-8,13H2,1-2H3
InChIKeyDDERGRIXJVIWJD-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.38
Rot. Bonds6

About 4-methyl-2-(2-propoxyethoxy)aniline

4-methyl-2-(2-propoxyethoxy)aniline (PubChem CID 26189548) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-methyl-2-(2-propoxyethoxy)aniline.

Molecular Properties

Compound Name4-methyl-2-(2-propoxyethoxy)aniline
PubChem CID26189548
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-methyl-2-(2-propoxyethoxy)aniline
SMILESCCCOCCOc1cc(C)ccc1N
InChIInChI=1S/C12H19NO2/c1-3-6-14-7-8-15-12-9-10(2)4-5-11(12)13/h4-5,9H,3,6-8,13H2,1-2H3
InChIKeyDDERGRIXJVIWJD-UHFFFAOYSA-N
XLogP2.38
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-2-(2-propoxyethoxy)aniline with MolForge

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

Launch Full Analysis

Related Compounds

4-methyl-2-propoxyaniline
CID 24698653
4-fluoro-2-(2-propoxyethoxy)aniline
CID 63684494
4-amino-3-(2-propoxyethoxy)benzenesulfonamide
CID 82898491
4-methyl-2-[2-(2-methylphenoxy)ethoxy]aniline
CID 39359276
2-bromo-4-methyl-1-(2-propoxyethoxy)benzene
CID 106452978
2-(3-methoxypropoxy)-4-methylaniline
CID 26189547
2-(ethoxymethoxy)-4-methylaniline
CID 65365090
4-[4-amino-3-(2-hexoxyethoxy)phenyl]-2-(2-hexoxyethoxy)aniline
CID 139768534
2-[2-(2,6-dichlorophenoxy)ethoxy]-4-methylaniline
CID 39452119
4-amino-N-ethyl-3-(2-propoxyethoxy)benzenesulfonamide
CID 82900824
3-(2-amino-5-methylphenoxy)-N-ethylpropanamide
CID 62325813
2-(fluoromethoxy)-4-methylaniline
CID 123529275

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-propoxyethoxy)aniline?
The IUPAC name of 4-methyl-2-(2-propoxyethoxy)aniline (CID 26189548) is 4-methyl-2-(2-propoxyethoxy)aniline.
What is the SMILES notation for 4-methyl-2-(2-propoxyethoxy)aniline?
The canonical SMILES for 4-methyl-2-(2-propoxyethoxy)aniline is CCCOCCOc1cc(C)ccc1N.
What is the InChIKey of 4-methyl-2-(2-propoxyethoxy)aniline?
The InChIKey is DDERGRIXJVIWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-6-14-7-8-15-12-9-10(2)4-5-11(12)13/h4-5,9H,3,6-8,13H2,1-2H3.
What are the key properties of 4-methyl-2-(2-propoxyethoxy)aniline?
4-methyl-2-(2-propoxyethoxy)aniline has a molecular weight of 209.29 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-propoxyethoxy)aniline is sourced from PubChem (CID 26189548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).