N-[2-(4-fluorophenyl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-6-amine

C17H18FNO — CID 70271310

IUPACN-[2-(4-fluorophenyl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-6-amine
SMILESCN(CCc1ccc(F)cc1)c1ccc2c(c1)OCC2
InChIInChI=1S/C17H18FNO/c1-19(10-8-13-2-5-15(18)6-3-13)16-7-4-14-9-11-20-17(14)12-16/h2-7,12H,8-11H2,1H3
InChIKeyXTSGOMHXSZPONY-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.44
Rot. Bonds4

About N-[2-(4-fluorophenyl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-6-amine

N-[2-(4-fluorophenyl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-6-amine (PubChem CID 70271310) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-6-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-6-amine
PubChem CID70271310
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-6-amine
SMILESCN(CCc1ccc(F)cc1)c1ccc2c(c1)OCC2
InChIInChI=1S/C17H18FNO/c1-19(10-8-13-2-5-15(18)6-3-13)16-7-4-14-9-11-20-17(14)12-16/h2-7,12H,8-11H2,1H3
InChIKeyXTSGOMHXSZPONY-UHFFFAOYSA-N
XLogP3.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-2,3-dihydro-1-benzofuran
CID 59981216
3-N-[2-(4-fluorophenyl)ethyl]-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117041162
4-[2-(4-fluoro-N-methylanilino)ethyl]benzaldehyde
CID 125499661
(2S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)ethyl]-2-phenylacetamide;hydrochloride
CID 68935177
2-(2,3-dihydro-1-benzofuran-6-yl)ethanamine
CID 82415104
acetylene;6-ethyl-2,3-dihydro-1-benzofuran
CID 174280285
6-(2-chloroethyl)-2,3-dihydro-1-benzofuran
CID 130750027
6-(2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran
CID 59832132
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-methylmethanediamine
CID 115226278
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 65447213
2-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 65429361
N'-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylbutane-1,4-diamine
CID 115201852

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-6-amine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-6-amine (CID 70271310) is N-[2-(4-fluorophenyl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-6-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-6-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-6-amine is CN(CCc1ccc(F)cc1)c1ccc2c(c1)OCC2.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-6-amine?
The InChIKey is XTSGOMHXSZPONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-19(10-8-13-2-5-15(18)6-3-13)16-7-4-14-9-11-20-17(14)12-16/h2-7,12H,8-11H2,1H3.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-6-amine?
N-[2-(4-fluorophenyl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-6-amine has a molecular weight of 271.34 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-6-amine is sourced from PubChem (CID 70271310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).