1-[4-(aminomethoxymethyl)-2-fluorophenyl]-N-methylmethanamine

C10H15FN2O — CID 145239536

IUPAC1-[4-(aminomethoxymethyl)-2-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(COCN)cc1F
InChIInChI=1S/C10H15FN2O/c1-13-5-9-3-2-8(4-10(9)11)6-14-7-12/h2-4,13H,5-7,12H2,1H3
InChIKeyVOPXOKRAUSTTAB-UHFFFAOYSA-N
MW198.24 g/mol
LogP0.98
Rot. Bonds5

About 1-[4-(aminomethoxymethyl)-2-fluorophenyl]-N-methylmethanamine

1-[4-(aminomethoxymethyl)-2-fluorophenyl]-N-methylmethanamine (PubChem CID 145239536) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 1-[4-(aminomethoxymethyl)-2-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(aminomethoxymethyl)-2-fluorophenyl]-N-methylmethanamine
PubChem CID145239536
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name1-[4-(aminomethoxymethyl)-2-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(COCN)cc1F
InChIInChI=1S/C10H15FN2O/c1-13-5-9-3-2-8(4-10(9)11)6-14-7-12/h2-4,13H,5-7,12H2,1H3
InChIKeyVOPXOKRAUSTTAB-UHFFFAOYSA-N
XLogP0.98
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 50.98
H-Bond Donors ≤ 52
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 1-[4-(aminomethoxymethyl)-2-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(aminomethoxymethyl)-2-fluorophenyl]-N-methylmethanamine (CID 145239536) is 1-[4-(aminomethoxymethyl)-2-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(aminomethoxymethyl)-2-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(aminomethoxymethyl)-2-fluorophenyl]-N-methylmethanamine is CNCc1ccc(COCN)cc1F.
What is the InChIKey of 1-[4-(aminomethoxymethyl)-2-fluorophenyl]-N-methylmethanamine?
The InChIKey is VOPXOKRAUSTTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-13-5-9-3-2-8(4-10(9)11)6-14-7-12/h2-4,13H,5-7,12H2,1H3.
What are the key properties of 1-[4-(aminomethoxymethyl)-2-fluorophenyl]-N-methylmethanamine?
1-[4-(aminomethoxymethyl)-2-fluorophenyl]-N-methylmethanamine has a molecular weight of 198.24 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethoxymethyl)-2-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 145239536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).