[5-(dimethoxymethyl)-2-fluorophenyl]methanamine

C10H14FNO2 — CID 22493880

IUPAC[5-(dimethoxymethyl)-2-fluorophenyl]methanamine
SMILESCOC(OC)c1ccc(F)c(CN)c1
InChIInChI=1S/C10H14FNO2/c1-13-10(14-2)7-3-4-9(11)8(5-7)6-12/h3-5,10H,6,12H2,1-2H3
InChIKeyGJYSXIZJWZVVRV-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.58
Rot. Bonds4

About [5-(dimethoxymethyl)-2-fluorophenyl]methanamine

[5-(dimethoxymethyl)-2-fluorophenyl]methanamine (PubChem CID 22493880) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is [5-(dimethoxymethyl)-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[5-(dimethoxymethyl)-2-fluorophenyl]methanamine
PubChem CID22493880
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name[5-(dimethoxymethyl)-2-fluorophenyl]methanamine
SMILESCOC(OC)c1ccc(F)c(CN)c1
InChIInChI=1S/C10H14FNO2/c1-13-10(14-2)7-3-4-9(11)8(5-7)6-12/h3-5,10H,6,12H2,1-2H3
InChIKeyGJYSXIZJWZVVRV-UHFFFAOYSA-N
XLogP1.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(dimethoxymethyl)-2-fluorophenyl]methanamine?
The IUPAC name of [5-(dimethoxymethyl)-2-fluorophenyl]methanamine (CID 22493880) is [5-(dimethoxymethyl)-2-fluorophenyl]methanamine.
What is the SMILES notation for [5-(dimethoxymethyl)-2-fluorophenyl]methanamine?
The canonical SMILES for [5-(dimethoxymethyl)-2-fluorophenyl]methanamine is COC(OC)c1ccc(F)c(CN)c1.
What is the InChIKey of [5-(dimethoxymethyl)-2-fluorophenyl]methanamine?
The InChIKey is GJYSXIZJWZVVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-13-10(14-2)7-3-4-9(11)8(5-7)6-12/h3-5,10H,6,12H2,1-2H3.
What are the key properties of [5-(dimethoxymethyl)-2-fluorophenyl]methanamine?
[5-(dimethoxymethyl)-2-fluorophenyl]methanamine has a molecular weight of 199.22 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethoxymethyl)-2-fluorophenyl]methanamine is sourced from PubChem (CID 22493880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).