4-(aminomethyl)-3-fluoro-N-methylfuran-2-amine

C6H9FN2O — CID 154964864

IUPAC4-(aminomethyl)-3-fluoro-N-methylfuran-2-amine
SMILESCNc1occ(CN)c1F
InChIInChI=1S/C6H9FN2O/c1-9-6-5(7)4(2-8)3-10-6/h3,9H,2,8H2,1H3
InChIKeySSGCNEUGSHYBJJ-UHFFFAOYSA-N
MW144.15 g/mol
LogP0.92
Rot. Bonds2

About 4-(aminomethyl)-3-fluoro-N-methylfuran-2-amine

4-(aminomethyl)-3-fluoro-N-methylfuran-2-amine (PubChem CID 154964864) has the molecular formula C6H9FN2O and a molecular weight of 144.15 g/mol. Its IUPAC name is 4-(aminomethyl)-3-fluoro-N-methylfuran-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-3-fluoro-N-methylfuran-2-amine
PubChem CID154964864
Molecular FormulaC6H9FN2O
Molecular Weight144.15 g/mol
Exact Mass144.07
IUPAC Name4-(aminomethyl)-3-fluoro-N-methylfuran-2-amine
SMILESCNc1occ(CN)c1F
InChIInChI=1S/C6H9FN2O/c1-9-6-5(7)4(2-8)3-10-6/h3,9H,2,8H2,1H3
InChIKeySSGCNEUGSHYBJJ-UHFFFAOYSA-N
XLogP0.92
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-fluoro-N-methylfuran-2-amine?
The IUPAC name of 4-(aminomethyl)-3-fluoro-N-methylfuran-2-amine (CID 154964864) is 4-(aminomethyl)-3-fluoro-N-methylfuran-2-amine.
What is the SMILES notation for 4-(aminomethyl)-3-fluoro-N-methylfuran-2-amine?
The canonical SMILES for 4-(aminomethyl)-3-fluoro-N-methylfuran-2-amine is CNc1occ(CN)c1F.
What is the InChIKey of 4-(aminomethyl)-3-fluoro-N-methylfuran-2-amine?
The InChIKey is SSGCNEUGSHYBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2O/c1-9-6-5(7)4(2-8)3-10-6/h3,9H,2,8H2,1H3.
What are the key properties of 4-(aminomethyl)-3-fluoro-N-methylfuran-2-amine?
4-(aminomethyl)-3-fluoro-N-methylfuran-2-amine has a molecular weight of 144.15 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-fluoro-N-methylfuran-2-amine is sourced from PubChem (CID 154964864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).