2-[4-(2,2-dimethylpropyl)-2-fluorophenoxy]ethanamine

C13H20FNO — CID 156509242

IUPAC2-[4-(2,2-dimethylpropyl)-2-fluorophenoxy]ethanamine
SMILESCC(C)(C)Cc1ccc(OCCN)c(F)c1
InChIInChI=1S/C13H20FNO/c1-13(2,3)9-10-4-5-12(11(14)8-10)16-7-6-15/h4-5,8H,6-7,9,15H2,1-3H3
InChIKeyUZYBNOWFBVCMTA-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.75
Rot. Bonds4

About 2-[4-(2,2-dimethylpropyl)-2-fluorophenoxy]ethanamine

2-[4-(2,2-dimethylpropyl)-2-fluorophenoxy]ethanamine (PubChem CID 156509242) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-[4-(2,2-dimethylpropyl)-2-fluorophenoxy]ethanamine.

Molecular Properties

Compound Name2-[4-(2,2-dimethylpropyl)-2-fluorophenoxy]ethanamine
PubChem CID156509242
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name2-[4-(2,2-dimethylpropyl)-2-fluorophenoxy]ethanamine
SMILESCC(C)(C)Cc1ccc(OCCN)c(F)c1
InChIInChI=1S/C13H20FNO/c1-13(2,3)9-10-4-5-12(11(14)8-10)16-7-6-15/h4-5,8H,6-7,9,15H2,1-3H3
InChIKeyUZYBNOWFBVCMTA-UHFFFAOYSA-N
XLogP2.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2,4-bis(2,2-dimethylpropyl)phenoxy]propan-1-amine
CID 14251086
3-(4-ethoxy-3-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 95447001
2-(2-fluoro-4-methylphenoxy)ethanamine
CID 83695309
2-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine
CID 107692598
2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylethanamine
CID 61101901
[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]methanamine
CID 107686331
ethyl 3-[4-(2-aminoethoxy)-3-fluorophenyl]propanoate;hydrochloride
CID 164576661
3-[4-(aminomethyl)-2-fluorophenoxy]propan-1-ol
CID 43152166
2-[3-fluoro-4-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 107692637
3-[4-(2-aminoethyl)-2-fluorophenoxy]-N,N-dimethylpropan-1-amine
CID 107692701
1-bromo-4-(2,2-dimethylpropyl)-2-fluorobenzene
CID 168841969
[3-fluoro-4-(3-methylbut-3-enoxy)phenyl]methanamine
CID 107686387

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-dimethylpropyl)-2-fluorophenoxy]ethanamine?
The IUPAC name of 2-[4-(2,2-dimethylpropyl)-2-fluorophenoxy]ethanamine (CID 156509242) is 2-[4-(2,2-dimethylpropyl)-2-fluorophenoxy]ethanamine.
What is the SMILES notation for 2-[4-(2,2-dimethylpropyl)-2-fluorophenoxy]ethanamine?
The canonical SMILES for 2-[4-(2,2-dimethylpropyl)-2-fluorophenoxy]ethanamine is CC(C)(C)Cc1ccc(OCCN)c(F)c1.
What is the InChIKey of 2-[4-(2,2-dimethylpropyl)-2-fluorophenoxy]ethanamine?
The InChIKey is UZYBNOWFBVCMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-13(2,3)9-10-4-5-12(11(14)8-10)16-7-6-15/h4-5,8H,6-7,9,15H2,1-3H3.
What are the key properties of 2-[4-(2,2-dimethylpropyl)-2-fluorophenoxy]ethanamine?
2-[4-(2,2-dimethylpropyl)-2-fluorophenoxy]ethanamine has a molecular weight of 225.31 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-dimethylpropyl)-2-fluorophenoxy]ethanamine is sourced from PubChem (CID 156509242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).