[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanamine

C11H16FNO2 — CID 18071096

IUPAC[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanamine
SMILESCOCCOCc1cc(CN)ccc1F
InChIInChI=1S/C11H16FNO2/c1-14-4-5-15-8-10-6-9(7-13)2-3-11(10)12/h2-3,6H,4-5,7-8,13H2,1H3
InChIKeyRQCSTLSZIFOSGG-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.45
Rot. Bonds6

About [4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanamine

[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanamine (PubChem CID 18071096) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is [4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanamine
PubChem CID18071096
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanamine
SMILESCOCCOCc1cc(CN)ccc1F
InChIInChI=1S/C11H16FNO2/c1-14-4-5-15-8-10-6-9(7-13)2-3-11(10)12/h2-3,6H,4-5,7-8,13H2,1H3
InChIKeyRQCSTLSZIFOSGG-UHFFFAOYSA-N
XLogP1.45
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanamine?
The IUPAC name of [4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanamine (CID 18071096) is [4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanamine.
What is the SMILES notation for [4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanamine?
The canonical SMILES for [4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanamine is COCCOCc1cc(CN)ccc1F.
What is the InChIKey of [4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanamine?
The InChIKey is RQCSTLSZIFOSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-14-4-5-15-8-10-6-9(7-13)2-3-11(10)12/h2-3,6H,4-5,7-8,13H2,1H3.
What are the key properties of [4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanamine?
[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanamine has a molecular weight of 213.25 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanamine is sourced from PubChem (CID 18071096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).