N-(2-fluoroethoxy)-1-phenylmethanamine

C9H12FNO — CID 88959648

IUPACN-(2-fluoroethoxy)-1-phenylmethanamine
SMILESFCCONCc1ccccc1
InChIInChI=1S/C9H12FNO/c10-6-7-12-11-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2
InChIKeyGRDADQDDWXCYCI-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.68
Rot. Bonds5

About N-(2-fluoroethoxy)-1-phenylmethanamine

N-(2-fluoroethoxy)-1-phenylmethanamine (PubChem CID 88959648) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is N-(2-fluoroethoxy)-1-phenylmethanamine.

Molecular Properties

Compound NameN-(2-fluoroethoxy)-1-phenylmethanamine
PubChem CID88959648
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC NameN-(2-fluoroethoxy)-1-phenylmethanamine
SMILESFCCONCc1ccccc1
InChIInChI=1S/C9H12FNO/c10-6-7-12-11-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2
InChIKeyGRDADQDDWXCYCI-UHFFFAOYSA-N
XLogP1.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.68
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-(2-fluoroethoxy)-1-phenylmethanamine?
The IUPAC name of N-(2-fluoroethoxy)-1-phenylmethanamine (CID 88959648) is N-(2-fluoroethoxy)-1-phenylmethanamine.
What is the SMILES notation for N-(2-fluoroethoxy)-1-phenylmethanamine?
The canonical SMILES for N-(2-fluoroethoxy)-1-phenylmethanamine is FCCONCc1ccccc1.
What is the InChIKey of N-(2-fluoroethoxy)-1-phenylmethanamine?
The InChIKey is GRDADQDDWXCYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c10-6-7-12-11-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2.
What are the key properties of N-(2-fluoroethoxy)-1-phenylmethanamine?
N-(2-fluoroethoxy)-1-phenylmethanamine has a molecular weight of 169.20 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethoxy)-1-phenylmethanamine is sourced from PubChem (CID 88959648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).