1-(4-fluoro-3-methylphenyl)-N-methoxymethanamine

C9H12FNO — CID 22485637

IUPAC1-(4-fluoro-3-methylphenyl)-N-methoxymethanamine
SMILESCONCc1ccc(F)c(C)c1
InChIInChI=1S/C9H12FNO/c1-7-5-8(6-11-12-2)3-4-9(7)10/h3-5,11H,6H2,1-2H3
InChIKeyWIVNOFPTDUVVBU-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.79
Rot. Bonds3

About 1-(4-fluoro-3-methylphenyl)-N-methoxymethanamine

1-(4-fluoro-3-methylphenyl)-N-methoxymethanamine (PubChem CID 22485637) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-N-methoxymethanamine
PubChem CID22485637
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name1-(4-fluoro-3-methylphenyl)-N-methoxymethanamine
SMILESCONCc1ccc(F)c(C)c1
InChIInChI=1S/C9H12FNO/c1-7-5-8(6-11-12-2)3-4-9(7)10/h3-5,11H,6H2,1-2H3
InChIKeyWIVNOFPTDUVVBU-UHFFFAOYSA-N
XLogP1.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.79
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-fluoro-3-methylphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-methoxymethanamine (CID 22485637) is 1-(4-fluoro-3-methylphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-N-methoxymethanamine is CONCc1ccc(F)c(C)c1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-N-methoxymethanamine?
The InChIKey is WIVNOFPTDUVVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-7-5-8(6-11-12-2)3-4-9(7)10/h3-5,11H,6H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-N-methoxymethanamine?
1-(4-fluoro-3-methylphenyl)-N-methoxymethanamine has a molecular weight of 169.20 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-N-methoxymethanamine is sourced from PubChem (CID 22485637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).