1-[4-(2-fluoroethyl)phenyl]-N-methoxymethanamine

C10H14FNO — CID 117279581

IUPAC1-[4-(2-fluoroethyl)phenyl]-N-methoxymethanamine
SMILESCONCc1ccc(CCF)cc1
InChIInChI=1S/C10H14FNO/c1-13-12-8-10-4-2-9(3-5-10)6-7-11/h2-5,12H,6-8H2,1H3
InChIKeyKGRGTMTUTDFLBD-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.85
Rot. Bonds5

About 1-[4-(2-fluoroethyl)phenyl]-N-methoxymethanamine

1-[4-(2-fluoroethyl)phenyl]-N-methoxymethanamine (PubChem CID 117279581) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 1-[4-(2-fluoroethyl)phenyl]-N-methoxymethanamine.

Molecular Properties

Compound Name1-[4-(2-fluoroethyl)phenyl]-N-methoxymethanamine
PubChem CID117279581
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name1-[4-(2-fluoroethyl)phenyl]-N-methoxymethanamine
SMILESCONCc1ccc(CCF)cc1
InChIInChI=1S/C10H14FNO/c1-13-12-8-10-4-2-9(3-5-10)6-7-11/h2-5,12H,6-8H2,1H3
InChIKeyKGRGTMTUTDFLBD-UHFFFAOYSA-N
XLogP1.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-[4-(2-fluoroethyl)phenyl]-N-methoxymethanamine?
The IUPAC name of 1-[4-(2-fluoroethyl)phenyl]-N-methoxymethanamine (CID 117279581) is 1-[4-(2-fluoroethyl)phenyl]-N-methoxymethanamine.
What is the SMILES notation for 1-[4-(2-fluoroethyl)phenyl]-N-methoxymethanamine?
The canonical SMILES for 1-[4-(2-fluoroethyl)phenyl]-N-methoxymethanamine is CONCc1ccc(CCF)cc1.
What is the InChIKey of 1-[4-(2-fluoroethyl)phenyl]-N-methoxymethanamine?
The InChIKey is KGRGTMTUTDFLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-13-12-8-10-4-2-9(3-5-10)6-7-11/h2-5,12H,6-8H2,1H3.
What are the key properties of 1-[4-(2-fluoroethyl)phenyl]-N-methoxymethanamine?
1-[4-(2-fluoroethyl)phenyl]-N-methoxymethanamine has a molecular weight of 183.23 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoroethyl)phenyl]-N-methoxymethanamine is sourced from PubChem (CID 117279581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).