1-(1-benzofuran-2-yl)-3-fluoro-N-methylpropan-2-amine

C12H14FNO — CID 171632744

IUPAC1-(1-benzofuran-2-yl)-3-fluoro-N-methylpropan-2-amine
SMILESCNC(CF)Cc1cc2ccccc2o1
InChIInChI=1S/C12H14FNO/c1-14-10(8-13)7-11-6-9-4-2-3-5-12(9)15-11/h2-6,10,14H,7-8H2,1H3
InChIKeyVUJUFCPNXLVRIS-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.53
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-3-fluoro-N-methylpropan-2-amine

1-(1-benzofuran-2-yl)-3-fluoro-N-methylpropan-2-amine (PubChem CID 171632744) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-3-fluoro-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-3-fluoro-N-methylpropan-2-amine
PubChem CID171632744
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name1-(1-benzofuran-2-yl)-3-fluoro-N-methylpropan-2-amine
SMILESCNC(CF)Cc1cc2ccccc2o1
InChIInChI=1S/C12H14FNO/c1-14-10(8-13)7-11-6-9-4-2-3-5-12(9)15-11/h2-6,10,14H,7-8H2,1H3
InChIKeyVUJUFCPNXLVRIS-UHFFFAOYSA-N
XLogP2.53
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-benzofuran-2-yl)-3-fluoro-N-methylpropan-2-amine 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 1-(1-benzofuran-2-yl)-3-fluoro-N-methylpropan-2-amine?
The IUPAC name of 1-(1-benzofuran-2-yl)-3-fluoro-N-methylpropan-2-amine (CID 171632744) is 1-(1-benzofuran-2-yl)-3-fluoro-N-methylpropan-2-amine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-3-fluoro-N-methylpropan-2-amine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-3-fluoro-N-methylpropan-2-amine is CNC(CF)Cc1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-3-fluoro-N-methylpropan-2-amine?
The InChIKey is VUJUFCPNXLVRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-14-10(8-13)7-11-6-9-4-2-3-5-12(9)15-11/h2-6,10,14H,7-8H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-3-fluoro-N-methylpropan-2-amine?
1-(1-benzofuran-2-yl)-3-fluoro-N-methylpropan-2-amine has a molecular weight of 207.25 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-3-fluoro-N-methylpropan-2-amine is sourced from PubChem (CID 171632744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).