N-methyl-2-(3-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine

C16H27NO2 — CID 106449148

IUPACN-methyl-2-(3-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
SMILESCNCC(OCCOCC(C)C)c1cccc(C)c1
InChIInChI=1S/C16H27NO2/c1-13(2)12-18-8-9-19-16(11-17-4)15-7-5-6-14(3)10-15/h5-7,10,13,16-17H,8-9,11-12H2,1-4H3
InChIKeyFWICRPYXFFSYHL-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.94
Rot. Bonds9

About N-methyl-2-(3-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine

N-methyl-2-(3-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine (PubChem CID 106449148) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-methyl-2-(3-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine.

Molecular Properties

Compound NameN-methyl-2-(3-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
PubChem CID106449148
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-methyl-2-(3-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
SMILESCNCC(OCCOCC(C)C)c1cccc(C)c1
InChIInChI=1S/C16H27NO2/c1-13(2)12-18-8-9-19-16(11-17-4)15-7-5-6-14(3)10-15/h5-7,10,13,16-17H,8-9,11-12H2,1-4H3
InChIKeyFWICRPYXFFSYHL-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

N-[2-(3-methylphenyl)-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
CID 62108473
N-[2-(4-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
CID 63475005
2-methyl-N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
CID 63473544
N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
CID 62106007
2-(cyclopropylmethoxy)-N-methyl-2-(3-methylphenyl)ethanamine
CID 62106439
N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]-2-(3-methylphenyl)ethanamine
CID 104565741
2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]-2-phenylethyl]propan-1-amine
CID 106450104
N-methyl-4-(3-methylbutoxy)-2-(3-methylphenyl)butan-1-amine
CID 79416931
1-[2-bromo-1-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-methylbenzene
CID 113427330
1-[2-bromo-1-(4-methylpentoxy)ethyl]-3-methylbenzene
CID 63474054
2-(3-methoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine
CID 103180506
N,2-dimethyl-3-(3-methylphenyl)butan-1-amine
CID 81016539

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine?
The IUPAC name of N-methyl-2-(3-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine (CID 106449148) is N-methyl-2-(3-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine.
What is the SMILES notation for N-methyl-2-(3-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine?
The canonical SMILES for N-methyl-2-(3-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine is CNCC(OCCOCC(C)C)c1cccc(C)c1.
What is the InChIKey of N-methyl-2-(3-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine?
The InChIKey is FWICRPYXFFSYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-13(2)12-18-8-9-19-16(11-17-4)15-7-5-6-14(3)10-15/h5-7,10,13,16-17H,8-9,11-12H2,1-4H3.
What are the key properties of N-methyl-2-(3-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine?
N-methyl-2-(3-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-2-(3-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine is sourced from PubChem (CID 106449148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).