N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-4-fluoro-N-methylaniline

C17H17FN2O — CID 62435698

IUPACN-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-4-fluoro-N-methylaniline
SMILESCN(Cc1oc2ccccc2c1CN)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O/c1-20(13-8-6-12(18)7-9-13)11-17-15(10-19)14-4-2-3-5-16(14)21-17/h2-9H,10-11,19H2,1H3
InChIKeyXFFPXDXGPVDYDQ-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.67
Rot. Bonds4

About N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-4-fluoro-N-methylaniline

N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-4-fluoro-N-methylaniline (PubChem CID 62435698) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-4-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-4-fluoro-N-methylaniline
PubChem CID62435698
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC NameN-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-4-fluoro-N-methylaniline
SMILESCN(Cc1oc2ccccc2c1CN)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O/c1-20(13-8-6-12(18)7-9-13)11-17-15(10-19)14-4-2-3-5-16(14)21-17/h2-9H,10-11,19H2,1H3
InChIKeyXFFPXDXGPVDYDQ-UHFFFAOYSA-N
XLogP3.67
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-4-fluoro-N-methylaniline 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 N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-4-fluoro-N-methylaniline?
The IUPAC name of N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-4-fluoro-N-methylaniline (CID 62435698) is N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-4-fluoro-N-methylaniline.
What is the SMILES notation for N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-4-fluoro-N-methylaniline?
The canonical SMILES for N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-4-fluoro-N-methylaniline is CN(Cc1oc2ccccc2c1CN)c1ccc(F)cc1.
What is the InChIKey of N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-4-fluoro-N-methylaniline?
The InChIKey is XFFPXDXGPVDYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-20(13-8-6-12(18)7-9-13)11-17-15(10-19)14-4-2-3-5-16(14)21-17/h2-9H,10-11,19H2,1H3.
What are the key properties of N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-4-fluoro-N-methylaniline?
N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-4-fluoro-N-methylaniline has a molecular weight of 284.33 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-4-fluoro-N-methylaniline is sourced from PubChem (CID 62435698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).