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

C16H27NO2 — CID 55072970

IUPACN-[2-(2-ethoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine
SMILESCCOCCOC(CNCC(C)C)c1ccccc1
InChIInChI=1S/C16H27NO2/c1-4-18-10-11-19-16(13-17-12-14(2)3)15-8-6-5-7-9-15/h5-9,14,16-17H,4,10-13H2,1-3H3
InChIKeyBPXWERZVZSOYSK-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.03
Rot. Bonds10

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

N-[2-(2-ethoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine (PubChem CID 55072970) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[2-(2-ethoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(2-ethoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine
PubChem CID55072970
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[2-(2-ethoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine
SMILESCCOCCOC(CNCC(C)C)c1ccccc1
InChIInChI=1S/C16H27NO2/c1-4-18-10-11-19-16(13-17-12-14(2)3)15-8-6-5-7-9-15/h5-9,14,16-17H,4,10-13H2,1-3H3
InChIKeyBPXWERZVZSOYSK-UHFFFAOYSA-N
XLogP3.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(2-ethoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]-2-phenylethyl]propan-1-amine
CID 106450104
N-[2-(2-methoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine
CID 62456729
2-methyl-N-[2-(3-methylbutoxy)-2-phenylethyl]propan-1-amine
CID 55077407
N-[2-(2-ethoxyethoxy)-2-phenylethyl]-2-methylpropan-2-amine
CID 62108265
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-methyl-N-[2-(4-methylphenoxy)-2-phenylethyl]propan-1-amine
CID 63491990
N-[2-(4-fluorophenoxy)-2-phenylethyl]-2-methylpropan-1-amine
CID 62454308
2-(4-bromophenyl)-2-(2-ethoxyethoxy)-N-methylethanamine
CID 55036521
[ethoxy(2-ethoxyethoxy)methyl]benzene
CID 139725273
N-[2-phenyl-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
CID 62108300
2-(2-ethoxyethoxy)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 62105959

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(2-ethoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine (CID 55072970) is N-[2-(2-ethoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(2-ethoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(2-ethoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine is CCOCCOC(CNCC(C)C)c1ccccc1.
What is the InChIKey of N-[2-(2-ethoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine?
The InChIKey is BPXWERZVZSOYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-18-10-11-19-16(13-17-12-14(2)3)15-8-6-5-7-9-15/h5-9,14,16-17H,4,10-13H2,1-3H3.
What are the key properties of N-[2-(2-ethoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine?
N-[2-(2-ethoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.03, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 55072970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).