2-ethoxy-N-(2-fluoroethyl)-2-methylpropan-1-amine

C8H18FNO — CID 114941792

IUPAC2-ethoxy-N-(2-fluoroethyl)-2-methylpropan-1-amine
SMILESCCOC(C)(C)CNCCF
InChIInChI=1S/C8H18FNO/c1-4-11-8(2,3)7-10-6-5-9/h10H,4-7H2,1-3H3
InChIKeyPRLNNVRUWNUUMZ-UHFFFAOYSA-N
MW163.24 g/mol
LogP1.36
Rot. Bonds6

About 2-ethoxy-N-(2-fluoroethyl)-2-methylpropan-1-amine

2-ethoxy-N-(2-fluoroethyl)-2-methylpropan-1-amine (PubChem CID 114941792) has the molecular formula C8H18FNO and a molecular weight of 163.24 g/mol. Its IUPAC name is 2-ethoxy-N-(2-fluoroethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-(2-fluoroethyl)-2-methylpropan-1-amine
PubChem CID114941792
Molecular FormulaC8H18FNO
Molecular Weight163.24 g/mol
Exact Mass163.14
IUPAC Name2-ethoxy-N-(2-fluoroethyl)-2-methylpropan-1-amine
SMILESCCOC(C)(C)CNCCF
InChIInChI=1S/C8H18FNO/c1-4-11-8(2,3)7-10-6-5-9/h10H,4-7H2,1-3H3
InChIKeyPRLNNVRUWNUUMZ-UHFFFAOYSA-N
XLogP1.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(2-fluoroethyl)-2-methylpropan-1-amine?
The IUPAC name of 2-ethoxy-N-(2-fluoroethyl)-2-methylpropan-1-amine (CID 114941792) is 2-ethoxy-N-(2-fluoroethyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-ethoxy-N-(2-fluoroethyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-ethoxy-N-(2-fluoroethyl)-2-methylpropan-1-amine is CCOC(C)(C)CNCCF.
What is the InChIKey of 2-ethoxy-N-(2-fluoroethyl)-2-methylpropan-1-amine?
The InChIKey is PRLNNVRUWNUUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FNO/c1-4-11-8(2,3)7-10-6-5-9/h10H,4-7H2,1-3H3.
What are the key properties of 2-ethoxy-N-(2-fluoroethyl)-2-methylpropan-1-amine?
2-ethoxy-N-(2-fluoroethyl)-2-methylpropan-1-amine has a molecular weight of 163.24 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(2-fluoroethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 114941792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).