N-ethyl-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine

C16H27NO2 — CID 106447883

IUPACN-ethyl-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine
SMILESCCNC(C)c1ccccc1OCCOCC(C)C
InChIInChI=1S/C16H27NO2/c1-5-17-14(4)15-8-6-7-9-16(15)19-11-10-18-12-13(2)3/h6-9,13-14,17H,5,10-12H2,1-4H3
InChIKeyXBZOFRRJZJQMFC-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.41
Rot. Bonds9

About N-ethyl-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine

N-ethyl-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine (PubChem CID 106447883) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-ethyl-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine
PubChem CID106447883
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-ethyl-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine
SMILESCCNC(C)c1ccccc1OCCOCC(C)C
InChIInChI=1S/C16H27NO2/c1-5-17-14(4)15-8-6-7-9-16(15)19-11-10-18-12-13(2)3/h6-9,13-14,17H,5,10-12H2,1-4H3
InChIKeyXBZOFRRJZJQMFC-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
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-ethyl-1-[2-(2-methylpropoxy)phenyl]ethanamine
CID 43279591
(1S)-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanol
CID 106453765
1-[2-[1-(ethylamino)ethyl]phenoxy]propan-2-ol
CID 60882508
1-(2-but-3-ynoxyphenyl)-N-ethylethanamine
CID 60882512
N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 55073215
(1S)-1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
CID 93007357
1-[2-(2-ethoxyethoxy)-4-fluorophenyl]-N-ethylethanamine
CID 55180092
N-ethyl-2-propoxy-1-(2-propoxyphenyl)ethanamine
CID 104660013
N-ethyl-1-[2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 43279645
1-[2-(2-ethoxyethoxy)-4-methylphenyl]-N-ethylethanamine
CID 63640644
N-ethyl-1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 60882874
N-ethyl-1-[2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 43279629

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine (CID 106447883) is N-ethyl-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine is CCNC(C)c1ccccc1OCCOCC(C)C.
What is the InChIKey of N-ethyl-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine?
The InChIKey is XBZOFRRJZJQMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-17-14(4)15-8-6-7-9-16(15)19-11-10-18-12-13(2)3/h6-9,13-14,17H,5,10-12H2,1-4H3.
What are the key properties of N-ethyl-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine?
N-ethyl-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine has a molecular weight of 265.40 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 106447883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).