N-[[2-fluoro-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]ethanamine

C18H20FNO — CID 61033037

IUPACN-[[2-fluoro-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]ethanamine
SMILESCCNCc1cc(-c2ccc3c(c2)CC(C)O3)ccc1F
InChIInChI=1S/C18H20FNO/c1-3-20-11-16-10-13(4-6-17(16)19)14-5-7-18-15(9-14)8-12(2)21-18/h4-7,9-10,12,20H,3,8,11H2,1-2H3
InChIKeyPQILGBFYLFCFJH-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.93
Rot. Bonds4

About N-[[2-fluoro-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]ethanamine

N-[[2-fluoro-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]ethanamine (PubChem CID 61033037) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is N-[[2-fluoro-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-fluoro-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]ethanamine
PubChem CID61033037
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC NameN-[[2-fluoro-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]ethanamine
SMILESCCNCc1cc(-c2ccc3c(c2)CC(C)O3)ccc1F
InChIInChI=1S/C18H20FNO/c1-3-20-11-16-10-13(4-6-17(16)19)14-5-7-18-15(9-14)8-12(2)21-18/h4-7,9-10,12,20H,3,8,11H2,1-2H3
InChIKeyPQILGBFYLFCFJH-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-fluoro-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]ethanamine (CID 61033037) is N-[[2-fluoro-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-fluoro-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-fluoro-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]ethanamine is CCNCc1cc(-c2ccc3c(c2)CC(C)O3)ccc1F.
What is the InChIKey of N-[[2-fluoro-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]ethanamine?
The InChIKey is PQILGBFYLFCFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-3-20-11-16-10-13(4-6-17(16)19)14-5-7-18-15(9-14)8-12(2)21-18/h4-7,9-10,12,20H,3,8,11H2,1-2H3.
What are the key properties of N-[[2-fluoro-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]ethanamine?
N-[[2-fluoro-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]ethanamine has a molecular weight of 285.36 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 61033037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).