2-[3-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanamine

C12H16FNO — CID 107692680

IUPAC2-[3-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanamine
SMILESC=C(C)COc1ccc(CCN)cc1F
InChIInChI=1S/C12H16FNO/c1-9(2)8-15-12-4-3-10(5-6-14)7-11(12)13/h3-4,7H,1,5-6,8,14H2,2H3
InChIKeyNZBOOFTVNMOWGA-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.28
Rot. Bonds5

About 2-[3-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanamine

2-[3-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanamine (PubChem CID 107692680) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-[3-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanamine
PubChem CID107692680
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-[3-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanamine
SMILESC=C(C)COc1ccc(CCN)cc1F
InChIInChI=1S/C12H16FNO/c1-9(2)8-15-12-4-3-10(5-6-14)7-11(12)13/h3-4,7H,1,5-6,8,14H2,2H3
InChIKeyNZBOOFTVNMOWGA-UHFFFAOYSA-N
XLogP2.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[3-bromo-4-(2-methylprop-2-enoxy)phenyl]propan-1-amine
CID 117457198
2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-propan-2-ylacetamide
CID 107692678
2-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine
CID 107692598
[3-fluoro-4-(3-methylbut-3-enoxy)phenyl]methanamine
CID 107686387
3-[4-(2-aminoethyl)-2-fluorophenoxy]-N,N-dimethylpropan-1-amine
CID 107692701
3-fluoro-4-(2-methylprop-2-enoxy)benzonitrile
CID 103793496
2-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 107692822
[3-fluoro-4-(2-methylidenebutoxy)phenyl]methanol
CID 107690695
2-[3-fluoro-4-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 107692637
2-[3-methoxy-4-(2-methylidenebutoxy)phenyl]ethanamine
CID 66037111
2-[3-chloro-4-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 114476300
2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 107692866

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanamine (CID 107692680) is 2-[3-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanamine is C=C(C)COc1ccc(CCN)cc1F.
What is the InChIKey of 2-[3-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanamine?
The InChIKey is NZBOOFTVNMOWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-9(2)8-15-12-4-3-10(5-6-14)7-11(12)13/h3-4,7H,1,5-6,8,14H2,2H3.
What are the key properties of 2-[3-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanamine?
2-[3-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanamine has a molecular weight of 209.26 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanamine is sourced from PubChem (CID 107692680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).