N-methyl-1-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine

C16H27NO2 — CID 106447365

IUPACN-methyl-1-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
SMILESCNC(COCCOCC(C)C)c1ccccc1C
InChIInChI=1S/C16H27NO2/c1-13(2)11-18-9-10-19-12-16(17-4)15-8-6-5-7-14(15)3/h5-8,13,16-17H,9-12H2,1-4H3
InChIKeyYAPQLXJYNKIQBE-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.94
Rot. Bonds9

About N-methyl-1-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine

N-methyl-1-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine (PubChem CID 106447365) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-methyl-1-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
PubChem CID106447365
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-methyl-1-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
SMILESCNC(COCCOCC(C)C)c1ccccc1C
InChIInChI=1S/C16H27NO2/c1-13(2)11-18-9-10-19-12-16(17-4)15-8-6-5-7-14(15)3/h5-8,13,16-17H,9-12H2,1-4H3
InChIKeyYAPQLXJYNKIQBE-UHFFFAOYSA-N
XLogP2.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.94
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

1-(2,3-dimethylphenyl)-2-(2-methoxyethoxy)-N-methylethanamine
CID 114032782
2-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447029
N-[2-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-2-amine
CID 106449233
2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]aniline
CID 106450230
1-(2-methoxyphenyl)-N-methyl-2-(2-propoxyethoxy)ethanamine
CID 63686193
1-(4-ethoxyphenyl)-N-methyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447281
2-(3-ethoxyphenoxy)-N-methyl-1-(2-methylphenyl)ethanamine
CID 62335577
N-methyl-1-(2-methylphenyl)-2-(2,3,5-trimethylphenoxy)ethanamine
CID 63473491
N,3,3-trimethyl-1-(2-methylphenyl)butan-1-amine
CID 63891299
N-methyl-1-(2-methylphenyl)-2-phenylethanamine
CID 60819180
2-(3-methylbutoxy)-1-(2-methylphenyl)ethanamine
CID 43184265
1-(2,4-dimethylphenyl)-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447398

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine?
The IUPAC name of N-methyl-1-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine (CID 106447365) is N-methyl-1-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine.
What is the SMILES notation for N-methyl-1-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine?
The canonical SMILES for N-methyl-1-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine is CNC(COCCOCC(C)C)c1ccccc1C.
What is the InChIKey of N-methyl-1-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine?
The InChIKey is YAPQLXJYNKIQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-13(2)11-18-9-10-19-12-16(17-4)15-8-6-5-7-14(15)3/h5-8,13,16-17H,9-12H2,1-4H3.
What are the key properties of N-methyl-1-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine?
N-methyl-1-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine has a molecular weight of 265.40 g/mol, XLogP of 2.94, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine is sourced from PubChem (CID 106447365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).