ethane;1-[4-(5-fluoro-7-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine

C19H22FNO — CID 156861552

IUPACethane;1-[4-(5-fluoro-7-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
SMILESCC.CNCc1ccc(-c2cc3cc(F)cc(C)c3o2)cc1
InChIInChI=1S/C17H16FNO.C2H6/c1-11-7-15(18)8-14-9-16(20-17(11)14)13-5-3-12(4-6-13)10-19-2;1-2/h3-9,19H,10H2,1-2H3;1-2H3
InChIKeyMPQMAOWWZFKOPE-UHFFFAOYSA-N
MW299.39 g/mol
LogP5.29
Rot. Bonds3

About ethane;1-[4-(5-fluoro-7-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine

ethane;1-[4-(5-fluoro-7-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine (PubChem CID 156861552) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is ethane;1-[4-(5-fluoro-7-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Nameethane;1-[4-(5-fluoro-7-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
PubChem CID156861552
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC Nameethane;1-[4-(5-fluoro-7-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
SMILESCC.CNCc1ccc(-c2cc3cc(F)cc(C)c3o2)cc1
InChIInChI=1S/C17H16FNO.C2H6/c1-11-7-15(18)8-14-9-16(20-17(11)14)13-5-3-12(4-6-13)10-19-2;1-2/h3-9,19H,10H2,1-2H3;1-2H3
InChIKeyMPQMAOWWZFKOPE-UHFFFAOYSA-N
XLogP5.29
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.39
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(7-chloro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
CID 114732026
ethane;2-[4-(methylaminomethyl)phenyl]-1-benzofuran-7-carboxamide
CID 156861554
1-[3-(7-fluoro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
CID 114731957
N-[[4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
CID 114732508
5-fluoro-2-[6-(methylaminomethyl)-3-pyridinyl]-1-benzofuran-7-carboxamide
CID 71721935
1-[4-(4-fluoro-2-methylphenyl)-3-methylphenyl]-N-methylmethanamine
CID 66481802
1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine
CID 114732546
N-methyl-1-[4-(2,4,5-trimethylphenyl)phenyl]methanamine
CID 64985369
1-[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine
CID 79690685
ethane;N-methyl-1-(4-methylphenyl)methanamine;propane
CID 168988049
1-[4-(furan-2-yl)phenyl]-N-methylmethanamine
CID 7537512
[4-(7-fluoro-1-benzofuran-2-yl)phenyl]methanamine
CID 114731985

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-(5-fluoro-7-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine?
The IUPAC name of ethane;1-[4-(5-fluoro-7-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine (CID 156861552) is ethane;1-[4-(5-fluoro-7-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for ethane;1-[4-(5-fluoro-7-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for ethane;1-[4-(5-fluoro-7-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine is CC.CNCc1ccc(-c2cc3cc(F)cc(C)c3o2)cc1.
What is the InChIKey of ethane;1-[4-(5-fluoro-7-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine?
The InChIKey is MPQMAOWWZFKOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO.C2H6/c1-11-7-15(18)8-14-9-16(20-17(11)14)13-5-3-12(4-6-13)10-19-2;1-2/h3-9,19H,10H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[4-(5-fluoro-7-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine?
ethane;1-[4-(5-fluoro-7-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine has a molecular weight of 299.39 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-(5-fluoro-7-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 156861552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).