1-[4-fluoro-3-(7-methyl-1-benzofuran-2-yl)phenyl]ethanamine

C17H16FNO — CID 114732293

IUPAC1-[4-fluoro-3-(7-methyl-1-benzofuran-2-yl)phenyl]ethanamine
SMILESCc1cccc2cc(-c3cc(C(C)N)ccc3F)oc12
InChIInChI=1S/C17H16FNO/c1-10-4-3-5-13-9-16(20-17(10)13)14-8-12(11(2)19)6-7-15(14)18/h3-9,11H,19H2,1-2H3
InChIKeyYIEXMCHKEOSFPN-UHFFFAOYSA-N
MW269.32 g/mol
LogP4.57
Rot. Bonds2

About 1-[4-fluoro-3-(7-methyl-1-benzofuran-2-yl)phenyl]ethanamine

1-[4-fluoro-3-(7-methyl-1-benzofuran-2-yl)phenyl]ethanamine (PubChem CID 114732293) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-[4-fluoro-3-(7-methyl-1-benzofuran-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-fluoro-3-(7-methyl-1-benzofuran-2-yl)phenyl]ethanamine
PubChem CID114732293
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name1-[4-fluoro-3-(7-methyl-1-benzofuran-2-yl)phenyl]ethanamine
SMILESCc1cccc2cc(-c3cc(C(C)N)ccc3F)oc12
InChIInChI=1S/C17H16FNO/c1-10-4-3-5-13-9-16(20-17(10)13)14-8-12(11(2)19)6-7-15(14)18/h3-9,11H,19H2,1-2H3
InChIKeyYIEXMCHKEOSFPN-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-fluoro-3-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine
CID 114732472
1-[3-(1-benzofuran-2-yl)-4-fluorophenyl]ethanamine
CID 114732154
(1S)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 45072346
N-methyl-1-[4-(7-methyl-1-benzofuran-2-yl)phenyl]ethanamine
CID 114732283
3,6-dichloro-4-(7-methyl-1-benzofuran-2-yl)pyridazine
CID 114734145
(7-methyl-1-benzofuran-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 105045627
2-(3,4-difluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 105045588
5-fluoro-2-(7-methyl-1-benzofuran-2-yl)benzaldehyde
CID 114077838
4-chloro-2-(7-methyl-1-benzofuran-2-yl)benzoic acid
CID 107989908
6-(7-methyl-1-benzofuran-2-yl)-5-propan-2-ylpyrimidin-4-amine
CID 114734652
1-[3-(3,4-difluorophenyl)-4-fluorophenyl]ethanamine
CID 82541956
1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440950

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(7-methyl-1-benzofuran-2-yl)phenyl]ethanamine?
The IUPAC name of 1-[4-fluoro-3-(7-methyl-1-benzofuran-2-yl)phenyl]ethanamine (CID 114732293) is 1-[4-fluoro-3-(7-methyl-1-benzofuran-2-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-fluoro-3-(7-methyl-1-benzofuran-2-yl)phenyl]ethanamine?
The canonical SMILES for 1-[4-fluoro-3-(7-methyl-1-benzofuran-2-yl)phenyl]ethanamine is Cc1cccc2cc(-c3cc(C(C)N)ccc3F)oc12.
What is the InChIKey of 1-[4-fluoro-3-(7-methyl-1-benzofuran-2-yl)phenyl]ethanamine?
The InChIKey is YIEXMCHKEOSFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c1-10-4-3-5-13-9-16(20-17(10)13)14-8-12(11(2)19)6-7-15(14)18/h3-9,11H,19H2,1-2H3.
What are the key properties of 1-[4-fluoro-3-(7-methyl-1-benzofuran-2-yl)phenyl]ethanamine?
1-[4-fluoro-3-(7-methyl-1-benzofuran-2-yl)phenyl]ethanamine has a molecular weight of 269.32 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(7-methyl-1-benzofuran-2-yl)phenyl]ethanamine is sourced from PubChem (CID 114732293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).