7-(2,4-dichlorophenyl)-N,N-diethyl-5-fluoro-2,3-dihydro-1-benzofuran-2-amine

C18H18Cl2FNO — CID 69191735

IUPAC7-(2,4-dichlorophenyl)-N,N-diethyl-5-fluoro-2,3-dihydro-1-benzofuran-2-amine
SMILESCCN(CC)C1Cc2cc(F)cc(-c3ccc(Cl)cc3Cl)c2O1
InChIInChI=1S/C18H18Cl2FNO/c1-3-22(4-2)17-8-11-7-13(21)10-15(18(11)23-17)14-6-5-12(19)9-16(14)20/h5-7,9-10,17H,3-4,8H2,1-2H3
InChIKeyBIYAHIMYTWMRQZ-UHFFFAOYSA-N
MW354.25 g/mol
LogP5.40
Rot. Bonds4

About 7-(2,4-dichlorophenyl)-N,N-diethyl-5-fluoro-2,3-dihydro-1-benzofuran-2-amine

7-(2,4-dichlorophenyl)-N,N-diethyl-5-fluoro-2,3-dihydro-1-benzofuran-2-amine (PubChem CID 69191735) has the molecular formula C18H18Cl2FNO and a molecular weight of 354.25 g/mol. Its IUPAC name is 7-(2,4-dichlorophenyl)-N,N-diethyl-5-fluoro-2,3-dihydro-1-benzofuran-2-amine.

Molecular Properties

Compound Name7-(2,4-dichlorophenyl)-N,N-diethyl-5-fluoro-2,3-dihydro-1-benzofuran-2-amine
PubChem CID69191735
Molecular FormulaC18H18Cl2FNO
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name7-(2,4-dichlorophenyl)-N,N-diethyl-5-fluoro-2,3-dihydro-1-benzofuran-2-amine
SMILESCCN(CC)C1Cc2cc(F)cc(-c3ccc(Cl)cc3Cl)c2O1
InChIInChI=1S/C18H18Cl2FNO/c1-3-22(4-2)17-8-11-7-13(21)10-15(18(11)23-17)14-6-5-12(19)9-16(14)20/h5-7,9-10,17H,3-4,8H2,1-2H3
InChIKeyBIYAHIMYTWMRQZ-UHFFFAOYSA-N
XLogP5.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.25
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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-[2-[4-chloro-2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine;hydrochloride
CID 18986929
N-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]-N-propylpropan-1-amine
CID 166630505
NO 756
CID 129967
[7-(2,4-Dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11404165
(+/-)-{[7-(2,6-Dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl}methylamine
CID 15941779
1-[2-(2-Chlorophenyl)ethyl]-4-[2-[2-(2-fluoroethoxy)phenyl]ethyl]piperidine;hydrochloride
CID 145965485
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-(2,4-dichlorophenyl)-N,N-diethyl-5-fluoro-2,3-dihydro-1-benzofuran-2-amine?
The IUPAC name of 7-(2,4-dichlorophenyl)-N,N-diethyl-5-fluoro-2,3-dihydro-1-benzofuran-2-amine (CID 69191735) is 7-(2,4-dichlorophenyl)-N,N-diethyl-5-fluoro-2,3-dihydro-1-benzofuran-2-amine.
What is the SMILES notation for 7-(2,4-dichlorophenyl)-N,N-diethyl-5-fluoro-2,3-dihydro-1-benzofuran-2-amine?
The canonical SMILES for 7-(2,4-dichlorophenyl)-N,N-diethyl-5-fluoro-2,3-dihydro-1-benzofuran-2-amine is CCN(CC)C1Cc2cc(F)cc(-c3ccc(Cl)cc3Cl)c2O1.
What is the InChIKey of 7-(2,4-dichlorophenyl)-N,N-diethyl-5-fluoro-2,3-dihydro-1-benzofuran-2-amine?
The InChIKey is BIYAHIMYTWMRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2FNO/c1-3-22(4-2)17-8-11-7-13(21)10-15(18(11)23-17)14-6-5-12(19)9-16(14)20/h5-7,9-10,17H,3-4,8H2,1-2H3.
What are the key properties of 7-(2,4-dichlorophenyl)-N,N-diethyl-5-fluoro-2,3-dihydro-1-benzofuran-2-amine?
7-(2,4-dichlorophenyl)-N,N-diethyl-5-fluoro-2,3-dihydro-1-benzofuran-2-amine has a molecular weight of 354.25 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dichlorophenyl)-N,N-diethyl-5-fluoro-2,3-dihydro-1-benzofuran-2-amine is sourced from PubChem (CID 69191735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).