2-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine

C15H25NO2 — CID 106447029

IUPAC2-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
SMILESCc1ccccc1C(CN)OCCOCC(C)C
InChIInChI=1S/C15H25NO2/c1-12(2)11-17-8-9-18-15(10-16)14-7-5-4-6-13(14)3/h4-7,12,15H,8-11,16H2,1-3H3
InChIKeyMBMZZLQCJBPIOJ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.68
Rot. Bonds8

About 2-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine

2-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine (PubChem CID 106447029) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine.

Molecular Properties

Compound Name2-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
PubChem CID106447029
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
SMILESCc1ccccc1C(CN)OCCOCC(C)C
InChIInChI=1S/C15H25NO2/c1-12(2)11-17-8-9-18-15(10-16)14-7-5-4-6-13(14)3/h4-7,12,15H,8-11,16H2,1-3H3
InChIKeyMBMZZLQCJBPIOJ-UHFFFAOYSA-N
XLogP2.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.68
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-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-2-amine
CID 106449233
N-methyl-1-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447365
2-(4-fluorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106446982
2-(4-methylpentan-2-yloxy)-2-(2-methylphenyl)ethanamine
CID 55019250
2-[2-(2-methylpropoxy)ethoxy]-2-pyridin-3-ylethanamine
CID 106446864
2-(3-methylbutoxy)-1-(2-methylphenyl)ethanamine
CID 43184265
1-[bis(2-methylpropoxy)methyl]-2-methylbenzene
CID 22034846
2-(2-fluorophenyl)-2-(2-propan-2-yloxyethoxy)ethanamine
CID 55018888
N-methyl-2-(2-methylphenyl)-2-(2-propoxyethoxy)ethanamine
CID 63684704
2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]-2-phenylethyl]propan-1-amine
CID 106450104
N-[2-(2-methoxyethoxy)-2-(2-methylphenyl)ethyl]-2-methylpropan-2-amine
CID 55036431
2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]aniline
CID 106450230

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine?
The IUPAC name of 2-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine (CID 106447029) is 2-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine.
What is the SMILES notation for 2-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine?
The canonical SMILES for 2-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine is Cc1ccccc1C(CN)OCCOCC(C)C.
What is the InChIKey of 2-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine?
The InChIKey is MBMZZLQCJBPIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(2)11-17-8-9-18-15(10-16)14-7-5-4-6-13(14)3/h4-7,12,15H,8-11,16H2,1-3H3.
What are the key properties of 2-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine?
2-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine has a molecular weight of 251.37 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine is sourced from PubChem (CID 106447029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).