4-ethoxy-N-(2-phenylmethoxyethyl)butan-1-amine

C15H25NO2 — CID 62564980

IUPAC4-ethoxy-N-(2-phenylmethoxyethyl)butan-1-amine
SMILESCCOCCCCNCCOCc1ccccc1
InChIInChI=1S/C15H25NO2/c1-2-17-12-7-6-10-16-11-13-18-14-15-8-4-3-5-9-15/h3-5,8-9,16H,2,6-7,10-14H2,1H3
InChIKeyOYHQNPQZHZTRRW-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.61
Rot. Bonds11

About 4-ethoxy-N-(2-phenylmethoxyethyl)butan-1-amine

4-ethoxy-N-(2-phenylmethoxyethyl)butan-1-amine (PubChem CID 62564980) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-ethoxy-N-(2-phenylmethoxyethyl)butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N-(2-phenylmethoxyethyl)butan-1-amine
PubChem CID62564980
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-ethoxy-N-(2-phenylmethoxyethyl)butan-1-amine
SMILESCCOCCCCNCCOCc1ccccc1
InChIInChI=1S/C15H25NO2/c1-2-17-12-7-6-10-16-11-13-18-14-15-8-4-3-5-9-15/h3-5,8-9,16H,2,6-7,10-14H2,1H3
InChIKeyOYHQNPQZHZTRRW-UHFFFAOYSA-N
XLogP2.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.61
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

4-ethoxy-N-(2-ethoxyethyl)butan-1-amine
CID 62565193
3-bromo-N-(2-phenylmethoxyethyl)propan-1-amine
CID 130537244
N'-(2-phenylmethoxyethyl)propane-1,3-diamine
CID 130536795
N-(2-phenylmethoxyethyl)hex-5-en-1-amine
CID 130560876
3-(4-phenylmethoxybutylamino)propanenitrile
CID 130774544
4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]butan-1-amine
CID 62565012
4-phenylmethoxybutylhydrazine
CID 59281408
methoxyethane;3-methyl-N-(2-phenylmethoxyethyl)butan-1-amine
CID 171818931
2-cyclopropyl-N-(2-phenylmethoxyethyl)ethanamine
CID 130536828
(213C)ethoxymethylbenzene
CID 87947851
azane;hexoxymethylbenzene
CID 174805489
N-(cyclopropylmethyl)-2-phenylmethoxyethanamine
CID 62566316

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-phenylmethoxyethyl)butan-1-amine?
The IUPAC name of 4-ethoxy-N-(2-phenylmethoxyethyl)butan-1-amine (CID 62564980) is 4-ethoxy-N-(2-phenylmethoxyethyl)butan-1-amine.
What is the SMILES notation for 4-ethoxy-N-(2-phenylmethoxyethyl)butan-1-amine?
The canonical SMILES for 4-ethoxy-N-(2-phenylmethoxyethyl)butan-1-amine is CCOCCCCNCCOCc1ccccc1.
What is the InChIKey of 4-ethoxy-N-(2-phenylmethoxyethyl)butan-1-amine?
The InChIKey is OYHQNPQZHZTRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-2-17-12-7-6-10-16-11-13-18-14-15-8-4-3-5-9-15/h3-5,8-9,16H,2,6-7,10-14H2,1H3.
What are the key properties of 4-ethoxy-N-(2-phenylmethoxyethyl)butan-1-amine?
4-ethoxy-N-(2-phenylmethoxyethyl)butan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.61, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-phenylmethoxyethyl)butan-1-amine is sourced from PubChem (CID 62564980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).