tert-butyl-[2-(2-fluorophenoxy)ethyl]azanium

C12H19FNO+ — CID 2263120

IUPACtert-butyl-[2-(2-fluorophenoxy)ethyl]azanium
SMILESCC(C)(C)[NH2+]CCOc1ccccc1F
InChIInChI=1S/C12H18FNO/c1-12(2,3)14-8-9-15-11-7-5-4-6-10(11)13/h4-7,14H,8-9H2,1-3H3/p+1
InChIKeyJVXZLMLQUIKSES-UHFFFAOYSA-O
MW212.29 g/mol
LogP1.57
Rot. Bonds4

About tert-butyl-[2-(2-fluorophenoxy)ethyl]azanium

tert-butyl-[2-(2-fluorophenoxy)ethyl]azanium (PubChem CID 2263120) has the molecular formula C12H19FNO+ and a molecular weight of 212.29 g/mol. Its IUPAC name is tert-butyl-[2-(2-fluorophenoxy)ethyl]azanium.

Molecular Properties

Compound Nametert-butyl-[2-(2-fluorophenoxy)ethyl]azanium
PubChem CID2263120
Molecular FormulaC12H19FNO+
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Nametert-butyl-[2-(2-fluorophenoxy)ethyl]azanium
SMILESCC(C)(C)[NH2+]CCOc1ccccc1F
InChIInChI=1S/C12H18FNO/c1-12(2,3)14-8-9-15-11-7-5-4-6-10(11)13/h4-7,14H,8-9H2,1-3H3/p+1
InChIKeyJVXZLMLQUIKSES-UHFFFAOYSA-O
XLogP1.57
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenoxy)ethyl-[(2R)-2-hydroxypropyl]azanium
CID 2232105
1-fluoro-2-(2-iodoethoxy)benzene
CID 64787952
cyclopentyl-[2-(2-fluorophenoxy)ethyl]azanium
CID 7454614
butyl-[6-(2-fluorophenoxy)hexyl]azanium
CID 2251024
3-(2-fluorophenoxy)propane-1-thiol
CID 79001947
O-[2-(2-fluorophenoxy)ethyl]hydroxylamine
CID 11019312
1-fluoro-2-(3-methylsulfanylpropoxy)benzene
CID 115647517
4-(2-fluorophenoxy)butan-1-ol
CID 43509993
4-(2-fluorophenoxy)butan-2-one
CID 28948853
1-ethoxy-2-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]benzene
CID 2283298
tert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate
CID 54333211
2-(2-fluorophenoxy)ethylhydrazine
CID 82125131

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(2-fluorophenoxy)ethyl]azanium?
The IUPAC name of tert-butyl-[2-(2-fluorophenoxy)ethyl]azanium (CID 2263120) is tert-butyl-[2-(2-fluorophenoxy)ethyl]azanium.
What is the SMILES notation for tert-butyl-[2-(2-fluorophenoxy)ethyl]azanium?
The canonical SMILES for tert-butyl-[2-(2-fluorophenoxy)ethyl]azanium is CC(C)(C)[NH2+]CCOc1ccccc1F.
What is the InChIKey of tert-butyl-[2-(2-fluorophenoxy)ethyl]azanium?
The InChIKey is JVXZLMLQUIKSES-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H18FNO/c1-12(2,3)14-8-9-15-11-7-5-4-6-10(11)13/h4-7,14H,8-9H2,1-3H3/p+1.
What are the key properties of tert-butyl-[2-(2-fluorophenoxy)ethyl]azanium?
tert-butyl-[2-(2-fluorophenoxy)ethyl]azanium has a molecular weight of 212.29 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(2-fluorophenoxy)ethyl]azanium is sourced from PubChem (CID 2263120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).