2-methyl-4-[2-(2-methylpropoxy)ethoxy]-5-propan-2-ylaniline

C16H27NO2 — CID 106449346

IUPAC2-methyl-4-[2-(2-methylpropoxy)ethoxy]-5-propan-2-ylaniline
SMILESCc1cc(OCCOCC(C)C)c(C(C)C)cc1N
InChIInChI=1S/C16H27NO2/c1-11(2)10-18-6-7-19-16-8-13(5)15(17)9-14(16)12(3)4/h8-9,11-12H,6-7,10,17H2,1-5H3
InChIKeyWMNMYPUFCZEMFQ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.75
Rot. Bonds7

About 2-methyl-4-[2-(2-methylpropoxy)ethoxy]-5-propan-2-ylaniline

2-methyl-4-[2-(2-methylpropoxy)ethoxy]-5-propan-2-ylaniline (PubChem CID 106449346) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-methyl-4-[2-(2-methylpropoxy)ethoxy]-5-propan-2-ylaniline.

Molecular Properties

Compound Name2-methyl-4-[2-(2-methylpropoxy)ethoxy]-5-propan-2-ylaniline
PubChem CID106449346
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-methyl-4-[2-(2-methylpropoxy)ethoxy]-5-propan-2-ylaniline
SMILESCc1cc(OCCOCC(C)C)c(C(C)C)cc1N
InChIInChI=1S/C16H27NO2/c1-11(2)10-18-6-7-19-16-8-13(5)15(17)9-14(16)12(3)4/h8-9,11-12H,6-7,10,17H2,1-5H3
InChIKeyWMNMYPUFCZEMFQ-UHFFFAOYSA-N
XLogP3.75
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.75
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

4-[3-(dimethylamino)propoxy]-2-methyl-5-propan-2-ylaniline
CID 114524620
4-(2,2-difluoroethoxy)-2-methyl-5-propan-2-ylaniline
CID 65216740
5-(4-amino-5-methyl-2-propan-2-ylphenoxy)pentan-1-ol
CID 65216687
4-(methoxymethoxy)-2-methyl-5-propan-2-ylaniline
CID 65365399
4-(3-methoxy-3-methylbutoxy)-2-methyl-5-propan-2-ylaniline
CID 103032541
2-methyl-4-(2-phenylethoxy)-5-propan-2-ylaniline
CID 65216960
4-(2-tert-butylsulfonylethoxy)-2-methyl-5-propan-2-ylaniline
CID 106721708
2,5-dimethyl-4-[2-(2-methylpropoxy)ethoxy]benzenesulfonyl chloride
CID 106451024
4-fluoro-2-[2-(2-methylpropoxy)ethoxy]aniline
CID 106446718
2-(4-amino-5-methyl-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide
CID 65216681
2-[(2R,6S)-4-[2-(4-amino-5-methyl-2-propan-2-ylphenoxy)ethyl]-2,6-dimethylpiperazin-1-yl]acetic acid
CID 154945186
2,4-dimethyl-3-[2-(2-methylpropoxy)ethoxy]aniline
CID 106449319

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(2-methylpropoxy)ethoxy]-5-propan-2-ylaniline?
The IUPAC name of 2-methyl-4-[2-(2-methylpropoxy)ethoxy]-5-propan-2-ylaniline (CID 106449346) is 2-methyl-4-[2-(2-methylpropoxy)ethoxy]-5-propan-2-ylaniline.
What is the SMILES notation for 2-methyl-4-[2-(2-methylpropoxy)ethoxy]-5-propan-2-ylaniline?
The canonical SMILES for 2-methyl-4-[2-(2-methylpropoxy)ethoxy]-5-propan-2-ylaniline is Cc1cc(OCCOCC(C)C)c(C(C)C)cc1N.
What is the InChIKey of 2-methyl-4-[2-(2-methylpropoxy)ethoxy]-5-propan-2-ylaniline?
The InChIKey is WMNMYPUFCZEMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-11(2)10-18-6-7-19-16-8-13(5)15(17)9-14(16)12(3)4/h8-9,11-12H,6-7,10,17H2,1-5H3.
What are the key properties of 2-methyl-4-[2-(2-methylpropoxy)ethoxy]-5-propan-2-ylaniline?
2-methyl-4-[2-(2-methylpropoxy)ethoxy]-5-propan-2-ylaniline has a molecular weight of 265.40 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(2-methylpropoxy)ethoxy]-5-propan-2-ylaniline is sourced from PubChem (CID 106449346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).