2-(3-chloro-4-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanamine

C17H15ClFNO — CID 103043019

IUPAC2-(3-chloro-4-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanamine
SMILESCc1ccc2oc(C(N)Cc3ccc(F)c(Cl)c3)cc2c1
InChIInChI=1S/C17H15ClFNO/c1-10-2-5-16-12(6-10)9-17(21-16)15(20)8-11-3-4-14(19)13(18)7-11/h2-7,9,15H,8,20H2,1H3
InChIKeyIDKMBFQOFNVKRY-UHFFFAOYSA-N
MW303.76 g/mol
LogP4.78
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanamine

2-(3-chloro-4-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanamine (PubChem CID 103043019) has the molecular formula C17H15ClFNO and a molecular weight of 303.76 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanamine
PubChem CID103043019
Molecular FormulaC17H15ClFNO
Molecular Weight303.76 g/mol
Exact Mass303.08
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanamine
SMILESCc1ccc2oc(C(N)Cc3ccc(F)c(Cl)c3)cc2c1
InChIInChI=1S/C17H15ClFNO/c1-10-2-5-16-12(6-10)9-17(21-16)15(20)8-11-3-4-14(19)13(18)7-11/h2-7,9,15H,8,20H2,1H3
InChIKeyIDKMBFQOFNVKRY-UHFFFAOYSA-N
XLogP4.78
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-chloro-4-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanamine 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 2-(3-chloro-4-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanamine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanamine (CID 103043019) is 2-(3-chloro-4-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanamine is Cc1ccc2oc(C(N)Cc3ccc(F)c(Cl)c3)cc2c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanamine?
The InChIKey is IDKMBFQOFNVKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO/c1-10-2-5-16-12(6-10)9-17(21-16)15(20)8-11-3-4-14(19)13(18)7-11/h2-7,9,15H,8,20H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanamine?
2-(3-chloro-4-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanamine has a molecular weight of 303.76 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanamine is sourced from PubChem (CID 103043019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).