[4-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-methylfuran-2-yl]methanamine

C15H19FN2O — CID 55069614

IUPAC[4-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-methylfuran-2-yl]methanamine
SMILESCc1oc(CN)cc1CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C15H19FN2O/c1-11-13(7-15(8-17)19-11)10-18(2)9-12-3-5-14(16)6-4-12/h3-7H,8-10,17H2,1-2H3
InChIKeyYZMKOQDECIVAFW-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.82
Rot. Bonds5

About [4-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-methylfuran-2-yl]methanamine

[4-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-methylfuran-2-yl]methanamine (PubChem CID 55069614) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is [4-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-methylfuran-2-yl]methanamine.

Molecular Properties

Compound Name[4-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-methylfuran-2-yl]methanamine
PubChem CID55069614
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name[4-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-methylfuran-2-yl]methanamine
SMILESCc1oc(CN)cc1CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C15H19FN2O/c1-11-13(7-15(8-17)19-11)10-18(2)9-12-3-5-14(16)6-4-12/h3-7H,8-10,17H2,1-2H3
InChIKeyYZMKOQDECIVAFW-UHFFFAOYSA-N
XLogP2.82
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-methylfuran-2-yl]methanamine?
The IUPAC name of [4-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-methylfuran-2-yl]methanamine (CID 55069614) is [4-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-methylfuran-2-yl]methanamine.
What is the SMILES notation for [4-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-methylfuran-2-yl]methanamine?
The canonical SMILES for [4-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-methylfuran-2-yl]methanamine is Cc1oc(CN)cc1CN(C)Cc1ccc(F)cc1.
What is the InChIKey of [4-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-methylfuran-2-yl]methanamine?
The InChIKey is YZMKOQDECIVAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-11-13(7-15(8-17)19-11)10-18(2)9-12-3-5-14(16)6-4-12/h3-7H,8-10,17H2,1-2H3.
What are the key properties of [4-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-methylfuran-2-yl]methanamine?
[4-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-methylfuran-2-yl]methanamine has a molecular weight of 262.33 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-methylfuran-2-yl]methanamine is sourced from PubChem (CID 55069614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).