2-(4-fluorophenyl)-N,N-dimethyl-1-benzofuran-5-amine

C16H14FNO — CID 16657284

IUPAC2-(4-fluorophenyl)-N,N-dimethyl-1-benzofuran-5-amine
SMILESCN(C)c1ccc2oc(-c3ccc(F)cc3)cc2c1
InChIInChI=1S/C16H14FNO/c1-18(2)14-7-8-15-12(9-14)10-16(19-15)11-3-5-13(17)6-4-11/h3-10H,1-2H3
InChIKeyGZBGKLOANPCFHM-UHFFFAOYSA-N
MW255.29 g/mol
LogP4.30
Rot. Bonds2

About 2-(4-fluorophenyl)-N,N-dimethyl-1-benzofuran-5-amine

2-(4-fluorophenyl)-N,N-dimethyl-1-benzofuran-5-amine (PubChem CID 16657284) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N,N-dimethyl-1-benzofuran-5-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N,N-dimethyl-1-benzofuran-5-amine
PubChem CID16657284
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name2-(4-fluorophenyl)-N,N-dimethyl-1-benzofuran-5-amine
SMILESCN(C)c1ccc2oc(-c3ccc(F)cc3)cc2c1
InChIInChI=1S/C16H14FNO/c1-18(2)14-7-8-15-12(9-14)10-16(19-15)11-3-5-13(17)6-4-11/h3-10H,1-2H3
InChIKeyGZBGKLOANPCFHM-UHFFFAOYSA-N
XLogP4.30
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N,N-dimethyl-1-benzofuran-5-amine?
The IUPAC name of 2-(4-fluorophenyl)-N,N-dimethyl-1-benzofuran-5-amine (CID 16657284) is 2-(4-fluorophenyl)-N,N-dimethyl-1-benzofuran-5-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N,N-dimethyl-1-benzofuran-5-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N,N-dimethyl-1-benzofuran-5-amine is CN(C)c1ccc2oc(-c3ccc(F)cc3)cc2c1.
What is the InChIKey of 2-(4-fluorophenyl)-N,N-dimethyl-1-benzofuran-5-amine?
The InChIKey is GZBGKLOANPCFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c1-18(2)14-7-8-15-12(9-14)10-16(19-15)11-3-5-13(17)6-4-11/h3-10H,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-N,N-dimethyl-1-benzofuran-5-amine?
2-(4-fluorophenyl)-N,N-dimethyl-1-benzofuran-5-amine has a molecular weight of 255.29 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N,N-dimethyl-1-benzofuran-5-amine is sourced from PubChem (CID 16657284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).