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

C9H20FNO — CID 107446612

IUPACN-(3-ethoxy-2-fluoropropyl)-2-methylpropan-2-amine
SMILESCCOCC(F)CNC(C)(C)C
InChIInChI=1S/C9H20FNO/c1-5-12-7-8(10)6-11-9(2,3)4/h8,11H,5-7H2,1-4H3
InChIKeyWDEQRVYGNCXBHM-UHFFFAOYSA-N
MW177.26 g/mol
LogP1.75
Rot. Bonds5

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

N-(3-ethoxy-2-fluoropropyl)-2-methylpropan-2-amine (PubChem CID 107446612) has the molecular formula C9H20FNO and a molecular weight of 177.26 g/mol. Its IUPAC name is N-(3-ethoxy-2-fluoropropyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-(3-ethoxy-2-fluoropropyl)-2-methylpropan-2-amine
PubChem CID107446612
Molecular FormulaC9H20FNO
Molecular Weight177.26 g/mol
Exact Mass177.15
IUPAC NameN-(3-ethoxy-2-fluoropropyl)-2-methylpropan-2-amine
SMILESCCOCC(F)CNC(C)(C)C
InChIInChI=1S/C9H20FNO/c1-5-12-7-8(10)6-11-9(2,3)4/h8,11H,5-7H2,1-4H3
InChIKeyWDEQRVYGNCXBHM-UHFFFAOYSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2-fluoropropyl)-2-methylpropan-2-amine?
The IUPAC name of N-(3-ethoxy-2-fluoropropyl)-2-methylpropan-2-amine (CID 107446612) is N-(3-ethoxy-2-fluoropropyl)-2-methylpropan-2-amine.
What is the SMILES notation for N-(3-ethoxy-2-fluoropropyl)-2-methylpropan-2-amine?
The canonical SMILES for N-(3-ethoxy-2-fluoropropyl)-2-methylpropan-2-amine is CCOCC(F)CNC(C)(C)C.
What is the InChIKey of N-(3-ethoxy-2-fluoropropyl)-2-methylpropan-2-amine?
The InChIKey is WDEQRVYGNCXBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FNO/c1-5-12-7-8(10)6-11-9(2,3)4/h8,11H,5-7H2,1-4H3.
What are the key properties of N-(3-ethoxy-2-fluoropropyl)-2-methylpropan-2-amine?
N-(3-ethoxy-2-fluoropropyl)-2-methylpropan-2-amine has a molecular weight of 177.26 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2-fluoropropyl)-2-methylpropan-2-amine is sourced from PubChem (CID 107446612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).