2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]aniline

C15H25NO2 — CID 106450230

IUPAC2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]aniline
SMILESCc1ccccc1NCCOCCOCC(C)C
InChIInChI=1S/C15H25NO2/c1-13(2)12-18-11-10-17-9-8-16-15-7-5-4-6-14(15)3/h4-7,13,16H,8-12H2,1-3H3
InChIKeyKWKDVZUKABJPHX-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.10
Rot. Bonds9

About 2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]aniline

2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]aniline (PubChem CID 106450230) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]aniline.

Molecular Properties

Compound Name2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]aniline
PubChem CID106450230
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]aniline
SMILESCc1ccccc1NCCOCCOCC(C)C
InChIInChI=1S/C15H25NO2/c1-13(2)12-18-11-10-17-9-8-16-15-7-5-4-6-14(15)3/h4-7,13,16H,8-12H2,1-3H3
InChIKeyKWKDVZUKABJPHX-UHFFFAOYSA-N
XLogP3.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]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

1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine
CID 22457316
2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline
CID 112590089
N-[2-(2-methylpropoxy)ethyl]-2-methylsulfonylaniline
CID 115641037
2-(difluoromethylsulfanyl)-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451258
N-[2-(2-cyclopropylethoxy)ethyl]-2-methylaniline
CID 106206284
2-(difluoromethylsulfonyl)-N-[2-(2-methylpropoxy)ethyl]aniline
CID 115620846
2-methyl-N-[2-(1-phenylethoxy)ethyl]aniline
CID 55088100
N-methyl-1-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447365
2-[2-(2-methylanilino)ethoxy]ethyl butanoate
CID 102065090
2-methyl-N-[2-(2-methylpropoxy)ethyl]-4-nitroaniline
CID 115671729
N-[2-(2-methoxyphenoxy)ethyl]-2-methylaniline
CID 62570750
N-benzyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106450220

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]aniline?
The IUPAC name of 2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]aniline (CID 106450230) is 2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]aniline.
What is the SMILES notation for 2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]aniline?
The canonical SMILES for 2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]aniline is Cc1ccccc1NCCOCCOCC(C)C.
What is the InChIKey of 2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]aniline?
The InChIKey is KWKDVZUKABJPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-13(2)12-18-11-10-17-9-8-16-15-7-5-4-6-14(15)3/h4-7,13,16H,8-12H2,1-3H3.
What are the key properties of 2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]aniline?
2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]aniline has a molecular weight of 251.37 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]aniline is sourced from PubChem (CID 106450230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).