[7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-diethyl-methylazanium

C19H22ClFNO+ — CID 69260935

IUPAC[7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-diethyl-methylazanium
SMILESCC[N+](C)(CC)C1Cc2cc(F)cc(-c3ccccc3Cl)c2O1
InChIInChI=1S/C19H22ClFNO/c1-4-22(3,5-2)18-11-13-10-14(21)12-16(19(13)23-18)15-8-6-7-9-17(15)20/h6-10,12,18H,4-5,11H2,1-3H3/q+1
InChIKeyUFZRGDGIMPEGTM-UHFFFAOYSA-N
MW334.84 g/mol
LogP4.89
Rot. Bonds4

About [7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-diethyl-methylazanium

[7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-diethyl-methylazanium (PubChem CID 69260935) has the molecular formula C19H22ClFNO+ and a molecular weight of 334.84 g/mol. Its IUPAC name is [7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-diethyl-methylazanium.

Molecular Properties

Compound Name[7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-diethyl-methylazanium
PubChem CID69260935
Molecular FormulaC19H22ClFNO+
Molecular Weight334.84 g/mol
Exact Mass334.14
IUPAC Name[7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-diethyl-methylazanium
SMILESCC[N+](C)(CC)C1Cc2cc(F)cc(-c3ccccc3Cl)c2O1
InChIInChI=1S/C19H22ClFNO/c1-4-22(3,5-2)18-11-13-10-14(21)12-16(19(13)23-18)15-8-6-7-9-17(15)20/h6-10,12,18H,4-5,11H2,1-3H3/q+1
InChIKeyUFZRGDGIMPEGTM-UHFFFAOYSA-N
XLogP4.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.84
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-Butanamine, 4-(2-(2-(2-chlorophenyl)ethyl)phenoxy)-N,N-dimethyl-, hydrochloride
CID 3055346
1-[7-(2,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
CID 16226461
N-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]-N-propylpropan-1-amine
CID 166630505
NO 756
CID 129967
(+/-)-{[7-(2,6-Dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl}methylamine
CID 15941779
4-[2-[2-(3-chlorophenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine;hydrochloride
CID 14623708
1-[2-(2-Chlorophenyl)ethyl]-4-[2-[2-(2-fluoroethoxy)phenyl]ethyl]piperidine;hydrochloride
CID 145965485
1-[2-(2-Chlorophenyl)ethyl]-4-[2-[2-(2-fluoroethoxy)phenyl]ethyl]piperazine;dihydrochloride
CID 145975270
2-[4-chloro-3-(2-methoxyphenyl)phenyl]-N,N-diethylethanamine
CID 166628168
3-[4-Chloro-3-(2-methoxyphenyl)phenyl]-1-methylpyrrolidine
CID 166629666
N-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]-N-ethylethanamine
CID 166630913
N-[2-[4-chloro-3-(2-methoxyphenyl)phenyl]ethyl]-N-propylpropan-1-amine
CID 166635180

Frequently Asked Questions

What is the IUPAC name of [7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-diethyl-methylazanium?
The IUPAC name of [7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-diethyl-methylazanium (CID 69260935) is [7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-diethyl-methylazanium.
What is the SMILES notation for [7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-diethyl-methylazanium?
The canonical SMILES for [7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-diethyl-methylazanium is CC[N+](C)(CC)C1Cc2cc(F)cc(-c3ccccc3Cl)c2O1.
What is the InChIKey of [7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-diethyl-methylazanium?
The InChIKey is UFZRGDGIMPEGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFNO/c1-4-22(3,5-2)18-11-13-10-14(21)12-16(19(13)23-18)15-8-6-7-9-17(15)20/h6-10,12,18H,4-5,11H2,1-3H3/q+1.
What are the key properties of [7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-diethyl-methylazanium?
[7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-diethyl-methylazanium has a molecular weight of 334.84 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-diethyl-methylazanium is sourced from PubChem (CID 69260935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).