[3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methanamine

C14H17FN2O — CID 55069613

IUPAC[3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methanamine
SMILESCN(Cc1ccc(F)cc1)Cc1ccoc1CN
InChIInChI=1S/C14H17FN2O/c1-17(9-11-2-4-13(15)5-3-11)10-12-6-7-18-14(12)8-16/h2-7H,8-10,16H2,1H3
InChIKeyQMYREBKPAOIHQX-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.51
Rot. Bonds5

About [3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methanamine

[3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methanamine (PubChem CID 55069613) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is [3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methanamine
PubChem CID55069613
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name[3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methanamine
SMILESCN(Cc1ccc(F)cc1)Cc1ccoc1CN
InChIInChI=1S/C14H17FN2O/c1-17(9-11-2-4-13(15)5-3-11)10-12-6-7-18-14(12)8-16/h2-7H,8-10,16H2,1H3
InChIKeyQMYREBKPAOIHQX-UHFFFAOYSA-N
XLogP2.51
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methanamine?
The IUPAC name of [3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methanamine (CID 55069613) is [3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methanamine.
What is the SMILES notation for [3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methanamine?
The canonical SMILES for [3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methanamine is CN(Cc1ccc(F)cc1)Cc1ccoc1CN.
What is the InChIKey of [3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methanamine?
The InChIKey is QMYREBKPAOIHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-17(9-11-2-4-13(15)5-3-11)10-12-6-7-18-14(12)8-16/h2-7H,8-10,16H2,1H3.
What are the key properties of [3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methanamine?
[3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methanamine has a molecular weight of 248.30 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methanamine is sourced from PubChem (CID 55069613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).