1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methanamine

C16H14FNO — CID 55182202

IUPAC1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methanamine
SMILESCc1cc(F)ccc1C(N)c1cc2ccccc2o1
InChIInChI=1S/C16H14FNO/c1-10-8-12(17)6-7-13(10)16(18)15-9-11-4-2-3-5-14(11)19-15/h2-9,16H,18H2,1H3
InChIKeyNLVXXUOPKPVDTE-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.93
Rot. Bonds2

About 1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methanamine

1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methanamine (PubChem CID 55182202) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methanamine.

Molecular Properties

Compound Name1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methanamine
PubChem CID55182202
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methanamine
SMILESCc1cc(F)ccc1C(N)c1cc2ccccc2o1
InChIInChI=1S/C16H14FNO/c1-10-8-12(17)6-7-13(10)16(18)15-9-11-4-2-3-5-14(11)19-15/h2-9,16H,18H2,1H3
InChIKeyNLVXXUOPKPVDTE-UHFFFAOYSA-N
XLogP3.93
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzofuran-2-yl-(2,4,5-trimethylphenyl)methanamine
CID 60727883
(4-bromo-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046089
1-benzofuran-2-yl-(2,4-difluoro-5-methylphenyl)methanamine
CID 105043942
N-[1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 63091851
1-benzofuran-2-yl-(2,3-dimethylphenyl)methanamine
CID 63090603
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
(4-fluoro-2-methylphenyl)-(2-fluorophenyl)methanamine
CID 63084229
(2,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046082
1-benzofuran-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881511
1-benzofuran-2-yl-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433505
(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 81278893
(5-fluoro-1-benzofuran-2-yl)-(2-iodophenyl)methanamine
CID 105046202

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methanamine?
The IUPAC name of 1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methanamine (CID 55182202) is 1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methanamine.
What is the SMILES notation for 1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methanamine?
The canonical SMILES for 1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methanamine is Cc1cc(F)ccc1C(N)c1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methanamine?
The InChIKey is NLVXXUOPKPVDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c1-10-8-12(17)6-7-13(10)16(18)15-9-11-4-2-3-5-14(11)19-15/h2-9,16H,18H2,1H3.
What are the key properties of 1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methanamine?
1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methanamine has a molecular weight of 255.29 g/mol, XLogP of 3.93, 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-(4-fluoro-2-methylphenyl)methanamine is sourced from PubChem (CID 55182202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).