[3-fluoro-4-(3-methylbut-3-enoxy)phenyl]methanamine

C12H16FNO — CID 107686387

IUPAC[3-fluoro-4-(3-methylbut-3-enoxy)phenyl]methanamine
SMILESC=C(C)CCOc1ccc(CN)cc1F
InChIInChI=1S/C12H16FNO/c1-9(2)5-6-15-12-4-3-10(8-14)7-11(12)13/h3-4,7H,1,5-6,8,14H2,2H3
InChIKeyUTXWPRCHFPNALH-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.63
Rot. Bonds5

About [3-fluoro-4-(3-methylbut-3-enoxy)phenyl]methanamine

[3-fluoro-4-(3-methylbut-3-enoxy)phenyl]methanamine (PubChem CID 107686387) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is [3-fluoro-4-(3-methylbut-3-enoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-(3-methylbut-3-enoxy)phenyl]methanamine
PubChem CID107686387
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name[3-fluoro-4-(3-methylbut-3-enoxy)phenyl]methanamine
SMILESC=C(C)CCOc1ccc(CN)cc1F
InChIInChI=1S/C12H16FNO/c1-9(2)5-6-15-12-4-3-10(8-14)7-11(12)13/h3-4,7H,1,5-6,8,14H2,2H3
InChIKeyUTXWPRCHFPNALH-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
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

2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylethanamine
CID 61101901
3-[4-(aminomethyl)-2-fluorophenoxy]propan-1-ol
CID 43152166
1-[3-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 114471761
(1R)-1-[3-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 104929522
(4-but-3-enoxy-3-fluorophenyl)methanamine
CID 107686236
[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]methanamine
CID 107686331
[4-(3-ethylsulfanylpropoxy)-3-fluorophenyl]methanamine
CID 107686239
1-[3-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanol
CID 114472844
2-[3-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 107692680
2-[3-chloro-4-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 114476300
[3-fluoro-4-(2-phenoxyethoxy)phenyl]methanamine
CID 28965923
2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylacetamide
CID 107665283

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(3-methylbut-3-enoxy)phenyl]methanamine?
The IUPAC name of [3-fluoro-4-(3-methylbut-3-enoxy)phenyl]methanamine (CID 107686387) is [3-fluoro-4-(3-methylbut-3-enoxy)phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-(3-methylbut-3-enoxy)phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-(3-methylbut-3-enoxy)phenyl]methanamine is C=C(C)CCOc1ccc(CN)cc1F.
What is the InChIKey of [3-fluoro-4-(3-methylbut-3-enoxy)phenyl]methanamine?
The InChIKey is UTXWPRCHFPNALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-9(2)5-6-15-12-4-3-10(8-14)7-11(12)13/h3-4,7H,1,5-6,8,14H2,2H3.
What are the key properties of [3-fluoro-4-(3-methylbut-3-enoxy)phenyl]methanamine?
[3-fluoro-4-(3-methylbut-3-enoxy)phenyl]methanamine has a molecular weight of 209.26 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(3-methylbut-3-enoxy)phenyl]methanamine is sourced from PubChem (CID 107686387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).