N-ethenoxy-1-(4-fluorophenyl)methanamine

C9H10FNO — CID 23559810

IUPACN-ethenoxy-1-(4-fluorophenyl)methanamine
SMILESC=CONCc1ccc(F)cc1
InChIInChI=1S/C9H10FNO/c1-2-12-11-7-8-3-5-9(10)6-4-8/h2-6,11H,1,7H2
InChIKeyCQLYNJXBIVEMTH-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.99
Rot. Bonds4

About N-ethenoxy-1-(4-fluorophenyl)methanamine

N-ethenoxy-1-(4-fluorophenyl)methanamine (PubChem CID 23559810) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is N-ethenoxy-1-(4-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-ethenoxy-1-(4-fluorophenyl)methanamine
PubChem CID23559810
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC NameN-ethenoxy-1-(4-fluorophenyl)methanamine
SMILESC=CONCc1ccc(F)cc1
InChIInChI=1S/C9H10FNO/c1-2-12-11-7-8-3-5-9(10)6-4-8/h2-6,11H,1,7H2
InChIKeyCQLYNJXBIVEMTH-UHFFFAOYSA-N
XLogP1.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethenoxy-1-(4-fluorophenyl)methanamine?
The IUPAC name of N-ethenoxy-1-(4-fluorophenyl)methanamine (CID 23559810) is N-ethenoxy-1-(4-fluorophenyl)methanamine.
What is the SMILES notation for N-ethenoxy-1-(4-fluorophenyl)methanamine?
The canonical SMILES for N-ethenoxy-1-(4-fluorophenyl)methanamine is C=CONCc1ccc(F)cc1.
What is the InChIKey of N-ethenoxy-1-(4-fluorophenyl)methanamine?
The InChIKey is CQLYNJXBIVEMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c1-2-12-11-7-8-3-5-9(10)6-4-8/h2-6,11H,1,7H2.
What are the key properties of N-ethenoxy-1-(4-fluorophenyl)methanamine?
N-ethenoxy-1-(4-fluorophenyl)methanamine has a molecular weight of 167.18 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenoxy-1-(4-fluorophenyl)methanamine is sourced from PubChem (CID 23559810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).