2-ethoxy-N-(3-fluoropropyl)-2-methylpropan-1-amine

C9H20FNO — CID 114942095

IUPAC2-ethoxy-N-(3-fluoropropyl)-2-methylpropan-1-amine
SMILESCCOC(C)(C)CNCCCF
InChIInChI=1S/C9H20FNO/c1-4-12-9(2,3)8-11-7-5-6-10/h11H,4-8H2,1-3H3
InChIKeyZXXYRYGOTKATQC-UHFFFAOYSA-N
MW177.26 g/mol
LogP1.75
Rot. Bonds7

About 2-ethoxy-N-(3-fluoropropyl)-2-methylpropan-1-amine

2-ethoxy-N-(3-fluoropropyl)-2-methylpropan-1-amine (PubChem CID 114942095) has the molecular formula C9H20FNO and a molecular weight of 177.26 g/mol. Its IUPAC name is 2-ethoxy-N-(3-fluoropropyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-(3-fluoropropyl)-2-methylpropan-1-amine
PubChem CID114942095
Molecular FormulaC9H20FNO
Molecular Weight177.26 g/mol
Exact Mass177.15
IUPAC Name2-ethoxy-N-(3-fluoropropyl)-2-methylpropan-1-amine
SMILESCCOC(C)(C)CNCCCF
InChIInChI=1S/C9H20FNO/c1-4-12-9(2,3)8-11-7-5-6-10/h11H,4-8H2,1-3H3
InChIKeyZXXYRYGOTKATQC-UHFFFAOYSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethoxy-N-(3-fluoropropyl)-2-methylpropan-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-ethoxy-N-(3-fluoropropyl)-2-methylpropan-1-amine?
The IUPAC name of 2-ethoxy-N-(3-fluoropropyl)-2-methylpropan-1-amine (CID 114942095) is 2-ethoxy-N-(3-fluoropropyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-ethoxy-N-(3-fluoropropyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-ethoxy-N-(3-fluoropropyl)-2-methylpropan-1-amine is CCOC(C)(C)CNCCCF.
What is the InChIKey of 2-ethoxy-N-(3-fluoropropyl)-2-methylpropan-1-amine?
The InChIKey is ZXXYRYGOTKATQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FNO/c1-4-12-9(2,3)8-11-7-5-6-10/h11H,4-8H2,1-3H3.
What are the key properties of 2-ethoxy-N-(3-fluoropropyl)-2-methylpropan-1-amine?
2-ethoxy-N-(3-fluoropropyl)-2-methylpropan-1-amine has a molecular weight of 177.26 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(3-fluoropropyl)-2-methylpropan-1-amine is sourced from PubChem (CID 114942095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).