2-ethoxy-2-ethyl-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine

C17H29NO3 — CID 116759494

IUPAC2-ethoxy-2-ethyl-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine
SMILESCCOC(CC)(CC)C(N)c1ccccc1OCCOC
InChIInChI=1S/C17H29NO3/c1-5-17(6-2,21-7-3)16(18)14-10-8-9-11-15(14)20-13-12-19-4/h8-11,16H,5-7,12-13,18H2,1-4H3
InChIKeyIEUDSOVAGMBORM-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.31
Rot. Bonds10

About 2-ethoxy-2-ethyl-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine

2-ethoxy-2-ethyl-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine (PubChem CID 116759494) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 2-ethoxy-2-ethyl-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-2-ethyl-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine
PubChem CID116759494
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2-ethoxy-2-ethyl-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine
SMILESCCOC(CC)(CC)C(N)c1ccccc1OCCOC
InChIInChI=1S/C17H29NO3/c1-5-17(6-2,21-7-3)16(18)14-10-8-9-11-15(14)20-13-12-19-4/h8-11,16H,5-7,12-13,18H2,1-4H3
InChIKeyIEUDSOVAGMBORM-UHFFFAOYSA-N
XLogP3.31
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine
CID 104560938
1-[2-(2-methoxyethoxy)phenyl]-2-propoxyethanamine
CID 104660008
1-[2-(2-methoxyethoxy)phenyl]-2,3-dimethylbutan-1-amine
CID 105035367
1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-amine
CID 113438261
1-[2-(2-methoxyethoxy)phenyl]-2-methylpentan-1-amine
CID 105035286
1-[2-(2-methoxyethoxy)phenyl]-3-methylpentan-1-amine
CID 105035323
2-ethoxy-2-ethyl-1-(5-fluoro-2-methoxyphenyl)butan-1-amine
CID 116759493
2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 102533880
1-(2,5-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-amine
CID 116759700
(1S)-1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-1-amine
CID 103402915
1-[2-(2-methoxyethoxy)phenyl]but-3-en-1-amine
CID 116660305
3-amino-1-[2-(2-methoxyethoxy)phenyl]propan-1-ol
CID 104658969

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-ethyl-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine?
The IUPAC name of 2-ethoxy-2-ethyl-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine (CID 116759494) is 2-ethoxy-2-ethyl-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine.
What is the SMILES notation for 2-ethoxy-2-ethyl-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine?
The canonical SMILES for 2-ethoxy-2-ethyl-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine is CCOC(CC)(CC)C(N)c1ccccc1OCCOC.
What is the InChIKey of 2-ethoxy-2-ethyl-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine?
The InChIKey is IEUDSOVAGMBORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-5-17(6-2,21-7-3)16(18)14-10-8-9-11-15(14)20-13-12-19-4/h8-11,16H,5-7,12-13,18H2,1-4H3.
What are the key properties of 2-ethoxy-2-ethyl-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine?
2-ethoxy-2-ethyl-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine has a molecular weight of 295.42 g/mol, XLogP of 3.31, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-ethyl-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine is sourced from PubChem (CID 116759494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).