N-[2-(2-methoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine

C15H25NO2 — CID 62456729

IUPACN-[2-(2-methoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine
SMILESCOCCOC(CNCC(C)C)c1ccccc1
InChIInChI=1S/C15H25NO2/c1-13(2)11-16-12-15(18-10-9-17-3)14-7-5-4-6-8-14/h4-8,13,15-16H,9-12H2,1-3H3
InChIKeyJRFSSCSJMHHIQV-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.64
Rot. Bonds9

About N-[2-(2-methoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine

N-[2-(2-methoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine (PubChem CID 62456729) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine
PubChem CID62456729
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[2-(2-methoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine
SMILESCOCCOC(CNCC(C)C)c1ccccc1
InChIInChI=1S/C15H25NO2/c1-13(2)11-16-12-15(18-10-9-17-3)14-7-5-4-6-8-14/h4-8,13,15-16H,9-12H2,1-3H3
InChIKeyJRFSSCSJMHHIQV-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
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-(3-methylbutoxy)-2-phenylethyl]propan-1-amine
CID 55077407
N-[2-(2-ethoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine
CID 55072970
2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]-2-phenylethyl]propan-1-amine
CID 106450104
N-(3-methoxy-2-phenylpropyl)-2-methylpropan-1-amine
CID 103984701
N-[2-(3-methoxypropoxy)-2-phenylethyl]propan-2-amine
CID 62107338
2-methyl-N-[2-(2-methylpentoxy)-2-phenylethyl]propan-1-amine
CID 103285722
N-[2-[2-(3-methoxypropoxy)ethoxy]-2-phenylethyl]propan-1-amine
CID 103180489
2-[3-(2-methoxyethoxy)propoxy]-N-methyl-2-phenylethanamine
CID 103405244
1-(2-methoxyethoxy)pentylbenzene
CID 10977044
2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride
CID 17157782
N-[2-phenyl-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
CID 62108300
2-methyl-N-[2-(4-methylphenoxy)-2-phenylethyl]propan-1-amine
CID 63491990

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(2-methoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine (CID 62456729) is N-[2-(2-methoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(2-methoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(2-methoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine is COCCOC(CNCC(C)C)c1ccccc1.
What is the InChIKey of N-[2-(2-methoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine?
The InChIKey is JRFSSCSJMHHIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-13(2)11-16-12-15(18-10-9-17-3)14-7-5-4-6-8-14/h4-8,13,15-16H,9-12H2,1-3H3.
What are the key properties of N-[2-(2-methoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine?
N-[2-(2-methoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62456729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).