2-ethyl-2-(2-phenoxyethoxy)butan-1-amine

C14H23NO2 — CID 65050959

IUPAC2-ethyl-2-(2-phenoxyethoxy)butan-1-amine
SMILESCCC(CC)(CN)OCCOc1ccccc1
InChIInChI=1S/C14H23NO2/c1-3-14(4-2,12-15)17-11-10-16-13-8-6-5-7-9-13/h5-9H,3-4,10-12,15H2,1-2H3
InChIKeyRISDWXVCBPYRCT-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.60
Rot. Bonds8

About 2-ethyl-2-(2-phenoxyethoxy)butan-1-amine

2-ethyl-2-(2-phenoxyethoxy)butan-1-amine (PubChem CID 65050959) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-ethyl-2-(2-phenoxyethoxy)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-(2-phenoxyethoxy)butan-1-amine
PubChem CID65050959
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-ethyl-2-(2-phenoxyethoxy)butan-1-amine
SMILESCCC(CC)(CN)OCCOc1ccccc1
InChIInChI=1S/C14H23NO2/c1-3-14(4-2,12-15)17-11-10-16-13-8-6-5-7-9-13/h5-9H,3-4,10-12,15H2,1-2H3
InChIKeyRISDWXVCBPYRCT-UHFFFAOYSA-N
XLogP2.60
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethyl-2-(2-phenoxyethoxy)butan-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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-phenoxyethoxy)butan-1-amine?
The IUPAC name of 2-ethyl-2-(2-phenoxyethoxy)butan-1-amine (CID 65050959) is 2-ethyl-2-(2-phenoxyethoxy)butan-1-amine.
What is the SMILES notation for 2-ethyl-2-(2-phenoxyethoxy)butan-1-amine?
The canonical SMILES for 2-ethyl-2-(2-phenoxyethoxy)butan-1-amine is CCC(CC)(CN)OCCOc1ccccc1.
What is the InChIKey of 2-ethyl-2-(2-phenoxyethoxy)butan-1-amine?
The InChIKey is RISDWXVCBPYRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-14(4-2,12-15)17-11-10-16-13-8-6-5-7-9-13/h5-9H,3-4,10-12,15H2,1-2H3.
What are the key properties of 2-ethyl-2-(2-phenoxyethoxy)butan-1-amine?
2-ethyl-2-(2-phenoxyethoxy)butan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-phenoxyethoxy)butan-1-amine is sourced from PubChem (CID 65050959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).