N-[(3-fluorophenyl)methoxy]methanamine

C8H10FNO — CID 89230498

IUPACN-[(3-fluorophenyl)methoxy]methanamine
SMILESCNOCC1=CC(=CC=C1)F
InChIInChI=1S/C8H10FNO/c1-10-11-6-7-3-2-4-8(9)5-7/h2-5,10H,6H2,1H3
InChIKeyBNQFDAFBRPYBPJ-UHFFFAOYSA-N
MW155.17 g/mol
LogP1.80
Rot. Bonds3

About N-[(3-fluorophenyl)methoxy]methanamine

N-[(3-fluorophenyl)methoxy]methanamine (PubChem CID 89230498) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methoxy]methanamine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methoxy]methanamine
PubChem CID89230498
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC NameN-[(3-fluorophenyl)methoxy]methanamine
SMILESCNOCC1=CC(=CC=C1)F
InChIInChI=1S/C8H10FNO/c1-10-11-6-7-3-2-4-8(9)5-7/h2-5,10H,6H2,1H3
InChIKeyBNQFDAFBRPYBPJ-UHFFFAOYSA-N
XLogP1.80
TPSA21.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity110

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methoxy]methanamine?
The IUPAC name of N-[(3-fluorophenyl)methoxy]methanamine (CID 89230498) is N-[(3-fluorophenyl)methoxy]methanamine.
What is the SMILES notation for N-[(3-fluorophenyl)methoxy]methanamine?
The canonical SMILES for N-[(3-fluorophenyl)methoxy]methanamine is CNOCC1=CC(=CC=C1)F.
What is the InChIKey of N-[(3-fluorophenyl)methoxy]methanamine?
The InChIKey is BNQFDAFBRPYBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO/c1-10-11-6-7-3-2-4-8(9)5-7/h2-5,10H,6H2,1H3.
What are the key properties of N-[(3-fluorophenyl)methoxy]methanamine?
N-[(3-fluorophenyl)methoxy]methanamine has a molecular weight of 155.17 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methoxy]methanamine is sourced from PubChem (CID 89230498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).