2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]-2-phenylethyl]propan-1-amine

C18H31NO2 — CID 106450104

IUPAC2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]-2-phenylethyl]propan-1-amine
SMILESCC(C)CNCC(OCCOCC(C)C)c1ccccc1
InChIInChI=1S/C18H31NO2/c1-15(2)12-19-13-18(17-8-6-5-7-9-17)21-11-10-20-14-16(3)4/h5-9,15-16,18-19H,10-14H2,1-4H3
InChIKeyANLLUCIQLQEFCX-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.66
Rot. Bonds11

About 2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]-2-phenylethyl]propan-1-amine

2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]-2-phenylethyl]propan-1-amine (PubChem CID 106450104) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]-2-phenylethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]-2-phenylethyl]propan-1-amine
PubChem CID106450104
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]-2-phenylethyl]propan-1-amine
SMILESCC(C)CNCC(OCCOCC(C)C)c1ccccc1
InChIInChI=1S/C18H31NO2/c1-15(2)12-19-13-18(17-8-6-5-7-9-17)21-11-10-20-14-16(3)4/h5-9,15-16,18-19H,10-14H2,1-4H3
InChIKeyANLLUCIQLQEFCX-UHFFFAOYSA-N
XLogP3.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.66
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-ethoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine
CID 55072970
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
2-methyl-N-[2-(2-methylpentoxy)-2-phenylethyl]propan-1-amine
CID 103285722
N-methyl-2-(3-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106449148
N-[3-(2-methylpropoxy)propyl]-2-phenylpropan-1-amine
CID 43182585
2-methyl-N-[2-(4-methylphenoxy)-2-phenylethyl]propan-1-amine
CID 63491990
2-[2-(2-methylpropoxy)ethoxy]-1-phenylpropan-1-ol
CID 106448681
N-[2-(4-fluorophenoxy)-2-phenylethyl]-2-methylpropan-1-amine
CID 62454308
N-[2-(2-ethoxyethoxy)-2-phenylethyl]-2-methylpropan-2-amine
CID 62108265
N-(3-methoxy-2-phenylpropyl)-2-methylpropan-1-amine
CID 103984701
N-[2-[2-(3-methoxypropoxy)ethoxy]-2-phenylethyl]propan-1-amine
CID 103180489

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]-2-phenylethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]-2-phenylethyl]propan-1-amine (CID 106450104) is 2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]-2-phenylethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]-2-phenylethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]-2-phenylethyl]propan-1-amine is CC(C)CNCC(OCCOCC(C)C)c1ccccc1.
What is the InChIKey of 2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]-2-phenylethyl]propan-1-amine?
The InChIKey is ANLLUCIQLQEFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-15(2)12-19-13-18(17-8-6-5-7-9-17)21-11-10-20-14-16(3)4/h5-9,15-16,18-19H,10-14H2,1-4H3.
What are the key properties of 2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]-2-phenylethyl]propan-1-amine?
2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]-2-phenylethyl]propan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 3.66, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]-2-phenylethyl]propan-1-amine is sourced from PubChem (CID 106450104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).