1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-amine

C18H18FNO — CID 114728507

IUPAC1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-amine
SMILESCC(C)(c1ccccc1)C(N)c1cc2cc(F)ccc2o1
InChIInChI=1S/C18H18FNO/c1-18(2,13-6-4-3-5-7-13)17(20)16-11-12-10-14(19)8-9-15(12)21-16/h3-11,17H,20H2,1-2H3
InChIKeyFZTJYIOWMLBJGW-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.55
Rot. Bonds3

About 1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-amine

1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-amine (PubChem CID 114728507) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-amine
PubChem CID114728507
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-amine
SMILESCC(C)(c1ccccc1)C(N)c1cc2cc(F)ccc2o1
InChIInChI=1S/C18H18FNO/c1-18(2,13-6-4-3-5-7-13)17(20)16-11-12-10-14(19)8-9-15(12)21-16/h3-11,17H,20H2,1-2H3
InChIKeyFZTJYIOWMLBJGW-UHFFFAOYSA-N
XLogP4.55
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-1-benzofuran-2-yl)-1-phenylethanol
CID 114722950
2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114731292
1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-ol
CID 114726568
2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 105046223
1-(5-fluoro-1-benzofuran-2-yl)-2-methoxyethanamine
CID 114728098
(5-fluoro-1-benzofuran-2-yl)-(2-iodophenyl)methanamine
CID 105046202
1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine
CID 105201183
[1-(5-fluoro-1-benzofuran-2-yl)-2-propylpentyl]hydrazine
CID 105338630
N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-phenylethanamine
CID 114727698
[(2-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105208817
2-(2-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanamine
CID 114728213
(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanamine
CID 105046160

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-amine?
The IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-amine (CID 114728507) is 1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-amine.
What is the SMILES notation for 1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-amine?
The canonical SMILES for 1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-amine is CC(C)(c1ccccc1)C(N)c1cc2cc(F)ccc2o1.
What is the InChIKey of 1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-amine?
The InChIKey is FZTJYIOWMLBJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c1-18(2,13-6-4-3-5-7-13)17(20)16-11-12-10-14(19)8-9-15(12)21-16/h3-11,17H,20H2,1-2H3.
What are the key properties of 1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-amine?
1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-amine has a molecular weight of 283.35 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-amine is sourced from PubChem (CID 114728507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).