2,4-dimethyl-3-[2-(2-methylpropoxy)ethoxy]aniline

C14H23NO2 — CID 106449319

IUPAC2,4-dimethyl-3-[2-(2-methylpropoxy)ethoxy]aniline
SMILESCc1ccc(N)c(C)c1OCCOCC(C)C
InChIInChI=1S/C14H23NO2/c1-10(2)9-16-7-8-17-14-11(3)5-6-13(15)12(14)4/h5-6,10H,7-9,15H2,1-4H3
InChIKeyAGMBUHWFIBIGCZ-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.94
Rot. Bonds6

About 2,4-dimethyl-3-[2-(2-methylpropoxy)ethoxy]aniline

2,4-dimethyl-3-[2-(2-methylpropoxy)ethoxy]aniline (PubChem CID 106449319) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2,4-dimethyl-3-[2-(2-methylpropoxy)ethoxy]aniline.

Molecular Properties

Compound Name2,4-dimethyl-3-[2-(2-methylpropoxy)ethoxy]aniline
PubChem CID106449319
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2,4-dimethyl-3-[2-(2-methylpropoxy)ethoxy]aniline
SMILESCc1ccc(N)c(C)c1OCCOCC(C)C
InChIInChI=1S/C14H23NO2/c1-10(2)9-16-7-8-17-14-11(3)5-6-13(15)12(14)4/h5-6,10H,7-9,15H2,1-4H3
InChIKeyAGMBUHWFIBIGCZ-UHFFFAOYSA-N
XLogP2.94
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.94
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'}

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Related Compounds

3-(2,2-difluoroethoxy)-2,4-dimethylaniline
CID 62018691
3-[3-(dimethylamino)propoxy]-2,4-dimethylaniline
CID 114524612
2-(3-amino-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 62018700
[3,5-dimethyl-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine
CID 106449258
propan-2-yl 2-(3-amino-2,6-dimethylphenoxy)acetate
CID 62019077
2-(3-amino-2,6-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 62017198
4-fluoro-2-[2-(2-methylpropoxy)ethoxy]aniline
CID 106446718
3-methyl-2-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide
CID 107110765
2-methyl-4-[2-(2-methylpropoxy)ethoxy]-5-propan-2-ylaniline
CID 106449346
5-[2-(2-methylpropoxy)ethoxy]isoquinolin-8-amine
CID 106446795
4-methyl-3-[2-(2-methylpropoxy)ethoxy]benzenecarbothioamide
CID 107656607
3-methyl-2-(2-methylpropoxy)aniline
CID 70699878

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-[2-(2-methylpropoxy)ethoxy]aniline?
The IUPAC name of 2,4-dimethyl-3-[2-(2-methylpropoxy)ethoxy]aniline (CID 106449319) is 2,4-dimethyl-3-[2-(2-methylpropoxy)ethoxy]aniline.
What is the SMILES notation for 2,4-dimethyl-3-[2-(2-methylpropoxy)ethoxy]aniline?
The canonical SMILES for 2,4-dimethyl-3-[2-(2-methylpropoxy)ethoxy]aniline is Cc1ccc(N)c(C)c1OCCOCC(C)C.
What is the InChIKey of 2,4-dimethyl-3-[2-(2-methylpropoxy)ethoxy]aniline?
The InChIKey is AGMBUHWFIBIGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(2)9-16-7-8-17-14-11(3)5-6-13(15)12(14)4/h5-6,10H,7-9,15H2,1-4H3.
What are the key properties of 2,4-dimethyl-3-[2-(2-methylpropoxy)ethoxy]aniline?
2,4-dimethyl-3-[2-(2-methylpropoxy)ethoxy]aniline has a molecular weight of 237.34 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-[2-(2-methylpropoxy)ethoxy]aniline is sourced from PubChem (CID 106449319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).