N-[[4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorophenyl]methyl]ethanamine

C17H18FNO — CID 114746535

IUPACN-[[4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cccc3c2OCC3)cc1F
InChIInChI=1S/C17H18FNO/c1-2-19-11-14-7-6-13(10-16(14)18)15-5-3-4-12-8-9-20-17(12)15/h3-7,10,19H,2,8-9,11H2,1H3
InChIKeyHKGWYWYROYBUGJ-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.54
Rot. Bonds4

About N-[[4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorophenyl]methyl]ethanamine

N-[[4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorophenyl]methyl]ethanamine (PubChem CID 114746535) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[[4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorophenyl]methyl]ethanamine
PubChem CID114746535
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC NameN-[[4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cccc3c2OCC3)cc1F
InChIInChI=1S/C17H18FNO/c1-2-19-11-14-7-6-13(10-16(14)18)15-5-3-4-12-8-9-20-17(12)15/h3-7,10,19H,2,8-9,11H2,1H3
InChIKeyHKGWYWYROYBUGJ-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2,3-dihydro-1-benzofuran-7-yl)phenyl]methyl]ethanamine
CID 114746594
N-[[5-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridinyl]methyl]ethanamine
CID 114746531
N-[[4-(3,4-dihydro-2H-chromen-8-yl)-3-fluorophenyl]methyl]ethanamine
CID 114746619
4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorobenzoic acid
CID 114746359
7-(4-methylphenyl)-2,3-dihydro-1-benzofuran
CID 23543625
ethane;7-phenyl-2,3-dihydro-1-benzofuran;propane
CID 143222384
1-[4-(2,3-dihydro-1-benzofuran-7-yl)phenyl]-N-ethylethanamine
CID 114746560
N-[(2-fluoro-4-quinolin-5-ylphenyl)methyl]ethanamine
CID 81230333
4-(3,4-dihydro-2H-chromen-8-yl)-2-fluoroaniline
CID 114746433
N-[[2-fluoro-4-(2-methylthiophen-3-yl)phenyl]methyl]ethanamine
CID 102834443
N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 61033400
N-[[3-(2,3-dihydro-1-benzofuran-7-yl)-4-fluorophenyl]methyl]propan-2-amine
CID 114746537

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorophenyl]methyl]ethanamine (CID 114746535) is N-[[4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorophenyl]methyl]ethanamine is CCNCc1ccc(-c2cccc3c2OCC3)cc1F.
What is the InChIKey of N-[[4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorophenyl]methyl]ethanamine?
The InChIKey is HKGWYWYROYBUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-2-19-11-14-7-6-13(10-16(14)18)15-5-3-4-12-8-9-20-17(12)15/h3-7,10,19H,2,8-9,11H2,1H3.
What are the key properties of N-[[4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorophenyl]methyl]ethanamine?
N-[[4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorophenyl]methyl]ethanamine has a molecular weight of 271.34 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 114746535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).