N-ethoxy-1-(2-fluorophenyl)methanamine

C9H12FNO — CID 60702465

IUPACN-ethoxy-1-(2-fluorophenyl)methanamine
SMILESCCONCc1ccccc1F
InChIInChI=1S/C9H12FNO/c1-2-12-11-7-8-5-3-4-6-9(8)10/h3-6,11H,2,7H2,1H3
InChIKeyFPNBODVNCRXKKP-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.87
Rot. Bonds4

About N-ethoxy-1-(2-fluorophenyl)methanamine

N-ethoxy-1-(2-fluorophenyl)methanamine (PubChem CID 60702465) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is N-ethoxy-1-(2-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-ethoxy-1-(2-fluorophenyl)methanamine
PubChem CID60702465
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC NameN-ethoxy-1-(2-fluorophenyl)methanamine
SMILESCCONCc1ccccc1F
InChIInChI=1S/C9H12FNO/c1-2-12-11-7-8-5-3-4-6-9(8)10/h3-6,11H,2,7H2,1H3
InChIKeyFPNBODVNCRXKKP-UHFFFAOYSA-N
XLogP1.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-ethoxy-1-(2-fluorophenyl)methanamine?
The IUPAC name of N-ethoxy-1-(2-fluorophenyl)methanamine (CID 60702465) is N-ethoxy-1-(2-fluorophenyl)methanamine.
What is the SMILES notation for N-ethoxy-1-(2-fluorophenyl)methanamine?
The canonical SMILES for N-ethoxy-1-(2-fluorophenyl)methanamine is CCONCc1ccccc1F.
What is the InChIKey of N-ethoxy-1-(2-fluorophenyl)methanamine?
The InChIKey is FPNBODVNCRXKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-2-12-11-7-8-5-3-4-6-9(8)10/h3-6,11H,2,7H2,1H3.
What are the key properties of N-ethoxy-1-(2-fluorophenyl)methanamine?
N-ethoxy-1-(2-fluorophenyl)methanamine has a molecular weight of 169.20 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-(2-fluorophenyl)methanamine is sourced from PubChem (CID 60702465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).