2-(3-fluorophenoxy)-N-methylethanamine;hydrochloride

C9H13ClFNO — CID 17170919

IUPAC2-(3-fluorophenoxy)-N-methylethanamine;hydrochloride
SMILESCNCCOc1cccc(F)c1.Cl
InChIInChI=1S/C9H12FNO.ClH/c1-11-5-6-12-9-4-2-3-8(10)7-9;/h2-4,7,11H,5-6H2,1H3;1H
InChIKeyYVHCGBUSVQQYAQ-UHFFFAOYSA-N
MW205.66 g/mol
LogP1.85
Rot. Bonds4

About 2-(3-fluorophenoxy)-N-methylethanamine;hydrochloride

2-(3-fluorophenoxy)-N-methylethanamine;hydrochloride (PubChem CID 17170919) has the molecular formula C9H13ClFNO and a molecular weight of 205.66 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-methylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-methylethanamine;hydrochloride
PubChem CID17170919
Molecular FormulaC9H13ClFNO
Molecular Weight205.66 g/mol
Exact Mass205.07
IUPAC Name2-(3-fluorophenoxy)-N-methylethanamine;hydrochloride
SMILESCNCCOc1cccc(F)c1.Cl
InChIInChI=1S/C9H12FNO.ClH/c1-11-5-6-12-9-4-2-3-8(10)7-9;/h2-4,7,11H,5-6H2,1H3;1H
InChIKeyYVHCGBUSVQQYAQ-UHFFFAOYSA-N
XLogP1.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.66
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-methylethanamine;hydrochloride?
The IUPAC name of 2-(3-fluorophenoxy)-N-methylethanamine;hydrochloride (CID 17170919) is 2-(3-fluorophenoxy)-N-methylethanamine;hydrochloride.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-methylethanamine;hydrochloride?
The canonical SMILES for 2-(3-fluorophenoxy)-N-methylethanamine;hydrochloride is CNCCOc1cccc(F)c1.Cl.
What is the InChIKey of 2-(3-fluorophenoxy)-N-methylethanamine;hydrochloride?
The InChIKey is YVHCGBUSVQQYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO.ClH/c1-11-5-6-12-9-4-2-3-8(10)7-9;/h2-4,7,11H,5-6H2,1H3;1H.
What are the key properties of 2-(3-fluorophenoxy)-N-methylethanamine;hydrochloride?
2-(3-fluorophenoxy)-N-methylethanamine;hydrochloride has a molecular weight of 205.66 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-methylethanamine;hydrochloride is sourced from PubChem (CID 17170919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).