(4-but-3-enoxy-3-fluorophenyl)methanamine

C11H14FNO — CID 107686236

IUPAC(4-but-3-enoxy-3-fluorophenyl)methanamine
SMILESC=CCCOc1ccc(CN)cc1F
InChIInChI=1S/C11H14FNO/c1-2-3-6-14-11-5-4-9(8-13)7-10(11)12/h2,4-5,7H,1,3,6,8,13H2
InChIKeyOKCWUXYNQPSZFO-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.24
Rot. Bonds5

About (4-but-3-enoxy-3-fluorophenyl)methanamine

(4-but-3-enoxy-3-fluorophenyl)methanamine (PubChem CID 107686236) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is (4-but-3-enoxy-3-fluorophenyl)methanamine.

Molecular Properties

Compound Name(4-but-3-enoxy-3-fluorophenyl)methanamine
PubChem CID107686236
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name(4-but-3-enoxy-3-fluorophenyl)methanamine
SMILESC=CCCOc1ccc(CN)cc1F
InChIInChI=1S/C11H14FNO/c1-2-3-6-14-11-5-4-9(8-13)7-10(11)12/h2,4-5,7H,1,3,6,8,13H2
InChIKeyOKCWUXYNQPSZFO-UHFFFAOYSA-N
XLogP2.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(aminomethyl)-2-fluorophenoxy]propan-1-ol
CID 43152166
[3-fluoro-4-(3-methylbut-3-enoxy)phenyl]methanamine
CID 107686387
2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylethanamine
CID 61101901
[3-fluoro-4-(2-phenoxyethoxy)phenyl]methanamine
CID 28965923
[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]methanamine
CID 107686331
[4-(3-ethylsulfanylpropoxy)-3-fluorophenyl]methanamine
CID 107686239
2-[4-(aminomethyl)-2-fluorophenoxy]-N-prop-2-enylacetamide
CID 107686235
4-but-3-enyl-1-ethoxy-2-fluorobenzene
CID 58719105
N-[(3-fluoro-4-pent-4-enoxyphenyl)methyl]ethanamine
CID 107686829
2-[4-(aminomethyl)-2-fluorophenoxy]acetonitrile
CID 107686306
N-[(3-fluoro-4-hept-6-enoxyphenyl)methyl]ethanamine
CID 107686926
4-(bromomethyl)-2-fluoro-1-prop-2-enoxybenzene
CID 67198367

Frequently Asked Questions

What is the IUPAC name of (4-but-3-enoxy-3-fluorophenyl)methanamine?
The IUPAC name of (4-but-3-enoxy-3-fluorophenyl)methanamine (CID 107686236) is (4-but-3-enoxy-3-fluorophenyl)methanamine.
What is the SMILES notation for (4-but-3-enoxy-3-fluorophenyl)methanamine?
The canonical SMILES for (4-but-3-enoxy-3-fluorophenyl)methanamine is C=CCCOc1ccc(CN)cc1F.
What is the InChIKey of (4-but-3-enoxy-3-fluorophenyl)methanamine?
The InChIKey is OKCWUXYNQPSZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-2-3-6-14-11-5-4-9(8-13)7-10(11)12/h2,4-5,7H,1,3,6,8,13H2.
What are the key properties of (4-but-3-enoxy-3-fluorophenyl)methanamine?
(4-but-3-enoxy-3-fluorophenyl)methanamine has a molecular weight of 195.24 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-but-3-enoxy-3-fluorophenyl)methanamine is sourced from PubChem (CID 107686236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).