1-benzofuran-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine

C17H16FNO — CID 106881511

IUPAC1-benzofuran-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2cc3ccccc3o2)c(F)c1
InChIInChI=1S/C17H16FNO/c1-10-7-11(2)16(13(18)8-10)17(19)15-9-12-5-3-4-6-14(12)20-15/h3-9,17H,19H2,1-2H3
InChIKeyHQYXIEZQEIUGCX-UHFFFAOYSA-N
MW269.32 g/mol
LogP4.24
Rot. Bonds2

About 1-benzofuran-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine

1-benzofuran-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine (PubChem CID 106881511) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine.

Molecular Properties

Compound Name1-benzofuran-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine
PubChem CID106881511
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name1-benzofuran-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2cc3ccccc3o2)c(F)c1
InChIInChI=1S/C17H16FNO/c1-10-7-11(2)16(13(18)8-10)17(19)15-9-12-5-3-4-6-14(12)20-15/h3-9,17H,19H2,1-2H3
InChIKeyHQYXIEZQEIUGCX-UHFFFAOYSA-N
XLogP4.24
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzofuran-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine 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-(1-benzofuran-2-yl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
CID 106881512
(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanamine
CID 105046160
1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanamine
CID 105044197
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
1-benzofuran-2-yl-(2,4-difluoro-5-methylphenyl)methanamine
CID 105043942
1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methanamine
CID 55182202
(2-fluoro-4,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 106884110
1-benzofuran-2-yl-(2,4,5-trimethylphenyl)methanamine
CID 60727883
1-benzofuran-2-yl-(3,4,5-trifluorophenyl)methanamine
CID 114728145
1-benzofuran-2-yl-(2,3-dimethylphenyl)methanamine
CID 63090603
1-benzofuran-2-yl-(3-methylthiophen-2-yl)methanamine
CID 63991259
(2-fluoro-4,6-dimethylphenyl)-(2-methylfuran-3-yl)methanamine
CID 106881970

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine?
The IUPAC name of 1-benzofuran-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine (CID 106881511) is 1-benzofuran-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine.
What is the SMILES notation for 1-benzofuran-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine?
The canonical SMILES for 1-benzofuran-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine is Cc1cc(C)c(C(N)c2cc3ccccc3o2)c(F)c1.
What is the InChIKey of 1-benzofuran-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine?
The InChIKey is HQYXIEZQEIUGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c1-10-7-11(2)16(13(18)8-10)17(19)15-9-12-5-3-4-6-14(12)20-15/h3-9,17H,19H2,1-2H3.
What are the key properties of 1-benzofuran-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine?
1-benzofuran-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine has a molecular weight of 269.32 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine is sourced from PubChem (CID 106881511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).