(2-ethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine

C17H16FNO — CID 105047565

IUPAC(2-ethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
SMILESCCc1ccccc1C(N)c1cc2cccc(F)c2o1
InChIInChI=1S/C17H16FNO/c1-2-11-6-3-4-8-13(11)16(19)15-10-12-7-5-9-14(18)17(12)20-15/h3-10,16H,2,19H2,1H3
InChIKeyFFUXONRNAXMNDA-UHFFFAOYSA-N
MW269.32 g/mol
LogP4.18
Rot. Bonds3

About (2-ethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine

(2-ethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine (PubChem CID 105047565) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is (2-ethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(2-ethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
PubChem CID105047565
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name(2-ethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
SMILESCCc1ccccc1C(N)c1cc2cccc(F)c2o1
InChIInChI=1S/C17H16FNO/c1-2-11-6-3-4-8-13(11)16(19)15-10-12-7-5-9-14(18)17(12)20-15/h3-10,16H,2,19H2,1H3
InChIKeyFFUXONRNAXMNDA-UHFFFAOYSA-N
XLogP4.18
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105047575
(1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 165455144
1-benzofuran-3-yl-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 114730676
7-fluoro-2-propan-2-yl-1-benzofuran
CID 88991552
(2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 106858732
(3,6-dimethylpyridazin-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105186511
[(3-ethyl-4-pyridinyl)-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105262308
(2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 115957488
(7-fluoro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine
CID 112614615
(4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 112614586
(1-ethylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 112614611
3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728036

Frequently Asked Questions

What is the IUPAC name of (2-ethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine?
The IUPAC name of (2-ethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine (CID 105047565) is (2-ethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (2-ethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (2-ethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine is CCc1ccccc1C(N)c1cc2cccc(F)c2o1.
What is the InChIKey of (2-ethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine?
The InChIKey is FFUXONRNAXMNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c1-2-11-6-3-4-8-13(11)16(19)15-10-12-7-5-9-14(18)17(12)20-15/h3-10,16H,2,19H2,1H3.
What are the key properties of (2-ethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine?
(2-ethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine has a molecular weight of 269.32 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 105047565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).