2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline

C15H25NO2 — CID 112590089

IUPAC2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline
SMILESCc1ccccc1NCCOCCOC(C)(C)C
InChIInChI=1S/C15H25NO2/c1-13-7-5-6-8-14(13)16-9-10-17-11-12-18-15(2,3)4/h5-8,16H,9-12H2,1-4H3
InChIKeySFDHBDSBFAKZKX-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.24
Rot. Bonds7

About 2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline

2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline (PubChem CID 112590089) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline.

Molecular Properties

Compound Name2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline
PubChem CID112590089
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline
SMILESCc1ccccc1NCCOCCOC(C)(C)C
InChIInChI=1S/C15H25NO2/c1-13-7-5-6-8-14(13)16-9-10-17-11-12-18-15(2,3)4/h5-8,16H,9-12H2,1-4H3
InChIKeySFDHBDSBFAKZKX-UHFFFAOYSA-N
XLogP3.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]aniline
CID 106450230
N-[2-(2-cyclopropylethoxy)ethyl]-2-methylaniline
CID 106206284
2-methyl-N-[2-(2-methylbutan-2-yloxy)ethyl]aniline
CID 62598994
2-[2-(2-methylanilino)ethoxy]ethyl butanoate
CID 102065090
2-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 60679505
N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylaniline
CID 60679438
N-[2-(2-methoxyphenoxy)ethyl]-2-methylaniline
CID 62570750
2-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134597159
N-(6-methoxyhexyl)-2-methylaniline
CID 59493757
2-methyl-N-[2-(1-phenylethoxy)ethyl]aniline
CID 55088100
2-[2-(2-methoxyethoxy)ethylamino]-6-methylbenzonitrile
CID 114003061
2-methyl-N-[2-(3-methylphenoxy)ethyl]aniline
CID 60679514

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline?
The IUPAC name of 2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline (CID 112590089) is 2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline.
What is the SMILES notation for 2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline?
The canonical SMILES for 2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline is Cc1ccccc1NCCOCCOC(C)(C)C.
What is the InChIKey of 2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline?
The InChIKey is SFDHBDSBFAKZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-13-7-5-6-8-14(13)16-9-10-17-11-12-18-15(2,3)4/h5-8,16H,9-12H2,1-4H3.
What are the key properties of 2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline?
2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline has a molecular weight of 251.37 g/mol, XLogP of 3.24, 7 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-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline is sourced from PubChem (CID 112590089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).