2-(3,4-difluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanamine

C17H15F2NO — CID 105045588

IUPAC2-(3,4-difluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanamine
SMILESCc1cccc2cc(C(N)Cc3ccc(F)c(F)c3)oc12
InChIInChI=1S/C17H15F2NO/c1-10-3-2-4-12-9-16(21-17(10)12)15(20)8-11-5-6-13(18)14(19)7-11/h2-7,9,15H,8,20H2,1H3
InChIKeyWBLALGZJJXOGDV-UHFFFAOYSA-N
MW287.31 g/mol
LogP4.26
Rot. Bonds3

About 2-(3,4-difluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanamine

2-(3,4-difluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanamine (PubChem CID 105045588) has the molecular formula C17H15F2NO and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanamine
PubChem CID105045588
Molecular FormulaC17H15F2NO
Molecular Weight287.31 g/mol
Exact Mass287.11
IUPAC Name2-(3,4-difluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanamine
SMILESCc1cccc2cc(C(N)Cc3ccc(F)c(F)c3)oc12
InChIInChI=1S/C17H15F2NO/c1-10-3-2-4-12-9-16(21-17(10)12)15(20)8-11-5-6-13(18)14(19)7-11/h2-7,9,15H,8,20H2,1H3
InChIKeyWBLALGZJJXOGDV-UHFFFAOYSA-N
XLogP4.26
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-difluorophenyl)-1-(7-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

Related Compounds

2-(3,4-difluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
CID 81477102
1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440950
1-(7-bromo-1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 103043411
1-(7-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanamine
CID 114727608
(7-methyl-1-benzofuran-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 105045627
3-methoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 114728058
1-(7-chloro-1-benzofuran-2-yl)-2-(4-methylphenyl)ethanamine
CID 114728299
2-ethylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 114728880
1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine
CID 105185601
1-(7-methyl-1-benzofuran-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105185570
2-N,2-N-diethyl-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propane-1,2-diamine
CID 114729527
1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanamine
CID 114728378

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanamine?
The IUPAC name of 2-(3,4-difluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanamine (CID 105045588) is 2-(3,4-difluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanamine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanamine?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanamine is Cc1cccc2cc(C(N)Cc3ccc(F)c(F)c3)oc12.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanamine?
The InChIKey is WBLALGZJJXOGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO/c1-10-3-2-4-12-9-16(21-17(10)12)15(20)8-11-5-6-13(18)14(19)7-11/h2-7,9,15H,8,20H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanamine?
2-(3,4-difluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanamine has a molecular weight of 287.31 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanamine is sourced from PubChem (CID 105045588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).