1-(4-fluoro-1-benzofuran-3-yl)-N-methylpropan-2-amine

C12H14FNO — CID 117194797

IUPAC1-(4-fluoro-1-benzofuran-3-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1coc2cccc(F)c12
InChIInChI=1S/C12H14FNO/c1-8(14-2)6-9-7-15-11-5-3-4-10(13)12(9)11/h3-5,7-8,14H,6H2,1-2H3
InChIKeyVMSIYXUXKWVCJV-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.72
Rot. Bonds3

About 1-(4-fluoro-1-benzofuran-3-yl)-N-methylpropan-2-amine

1-(4-fluoro-1-benzofuran-3-yl)-N-methylpropan-2-amine (PubChem CID 117194797) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-(4-fluoro-1-benzofuran-3-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-fluoro-1-benzofuran-3-yl)-N-methylpropan-2-amine
PubChem CID117194797
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name1-(4-fluoro-1-benzofuran-3-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1coc2cccc(F)c12
InChIInChI=1S/C12H14FNO/c1-8(14-2)6-9-7-15-11-5-3-4-10(13)12(9)11/h3-5,7-8,14H,6H2,1-2H3
InChIKeyVMSIYXUXKWVCJV-UHFFFAOYSA-N
XLogP2.72
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluoro-1-benzofuran-3-yl)-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

Related Compounds

1-(4-bromo-1-benzofuran-3-yl)-N-methylpropan-2-amine
CID 117194801
3-(4-fluoro-1-benzofuran-3-yl)-2-methylpropanoic acid
CID 117119182
4-fluoro-3-(propan-2-ylsulfanylmethyl)-1-benzofuran
CID 117170459
1-(4-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine
CID 117170265
1-(4-fluoro-1H-indol-3-yl)-N-methylpropan-2-amine
CID 117194879
4-fluoro-3-[(4-fluorophenoxy)methyl]-1-benzofuran
CID 117170411
(4-fluoro-1-benzofuran-3-yl)methyl formate
CID 91150142
1-(4-chloro-1-benzofuran-3-yl)propan-2-amine
CID 117119159
1-(3-bromo-2-fluorophenyl)-N-methylpropan-2-amine
CID 84737397
1-(8-fluoroindolizin-1-yl)-N-methylpropan-2-amine
CID 169203506
1-[2-(2,2-difluoroethyl)phenyl]-N-methylpropan-2-amine
CID 84723521
1-(1-benzofuran-7-yl)-N-methylpropan-2-amine;hydrochloride
CID 132988801

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1-benzofuran-3-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(4-fluoro-1-benzofuran-3-yl)-N-methylpropan-2-amine (CID 117194797) is 1-(4-fluoro-1-benzofuran-3-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(4-fluoro-1-benzofuran-3-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(4-fluoro-1-benzofuran-3-yl)-N-methylpropan-2-amine is CNC(C)Cc1coc2cccc(F)c12.
What is the InChIKey of 1-(4-fluoro-1-benzofuran-3-yl)-N-methylpropan-2-amine?
The InChIKey is VMSIYXUXKWVCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-8(14-2)6-9-7-15-11-5-3-4-10(13)12(9)11/h3-5,7-8,14H,6H2,1-2H3.
What are the key properties of 1-(4-fluoro-1-benzofuran-3-yl)-N-methylpropan-2-amine?
1-(4-fluoro-1-benzofuran-3-yl)-N-methylpropan-2-amine has a molecular weight of 207.25 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1-benzofuran-3-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 117194797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).