1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethylbutan-1-amine

C14H17ClFNO — CID 65439466

IUPAC1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethylbutan-1-amine
SMILESCCCC(NCC)c1cc2cc(F)cc(Cl)c2o1
InChIInChI=1S/C14H17ClFNO/c1-3-5-12(17-4-2)13-7-9-6-10(16)8-11(15)14(9)18-13/h6-8,12,17H,3-5H2,1-2H3
InChIKeySWGAMCBSWJGLLZ-UHFFFAOYSA-N
MW269.75 g/mol
LogP4.68
Rot. Bonds5

About 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethylbutan-1-amine

1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethylbutan-1-amine (PubChem CID 65439466) has the molecular formula C14H17ClFNO and a molecular weight of 269.75 g/mol. Its IUPAC name is 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethylbutan-1-amine
PubChem CID65439466
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC Name1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethylbutan-1-amine
SMILESCCCC(NCC)c1cc2cc(F)cc(Cl)c2o1
InChIInChI=1S/C14H17ClFNO/c1-3-5-12(17-4-2)13-7-9-6-10(16)8-11(15)14(9)18-13/h6-8,12,17H,3-5H2,1-2H3
InChIKeySWGAMCBSWJGLLZ-UHFFFAOYSA-N
XLogP4.68
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-{[(4,7-Dichloro-1-benzofuran-2-yl)methyl]amino}-5-ethyl-6-methyl-1,2-dihydropyridin-2-one
CID 454451
3-{[(7-Chloro-1-benzofuran-2-yl)methyl]amino}-5-ethyl-6-methyl-1,2-dihydropyridin-2-one
CID 454452
7-chloro-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 16547666
N'-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-N-methylpropane-1,3-diamine;hydrochloride
CID 44522287
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 44522288
N-[[5-(3-chloro-4-fluorophenyl)-1-benzofuran-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 137661201
Benzofuran-2-ylmethyl-butyl-amine
CID 16682061
N'-{[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl}-N,N-dimethylethane-1,2-diamine
CID 4724592
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-N',N'-diethylpropane-1,3-diamine
CID 17215241
[1-(1-Benzofuran-2-yl)ethyl](methyl)amine
CID 20117514
1-(5-Chloro-1-benzofuran-2-yl)ethan-1-amine hydrochloride
CID 54594449
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-phenylmethanamine
CID 4724544

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethylbutan-1-amine?
The IUPAC name of 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethylbutan-1-amine (CID 65439466) is 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethylbutan-1-amine.
What is the SMILES notation for 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethylbutan-1-amine?
The canonical SMILES for 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethylbutan-1-amine is CCCC(NCC)c1cc2cc(F)cc(Cl)c2o1.
What is the InChIKey of 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethylbutan-1-amine?
The InChIKey is SWGAMCBSWJGLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO/c1-3-5-12(17-4-2)13-7-9-6-10(16)8-11(15)14(9)18-13/h6-8,12,17H,3-5H2,1-2H3.
What are the key properties of 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethylbutan-1-amine?
1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethylbutan-1-amine has a molecular weight of 269.75 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethylbutan-1-amine is sourced from PubChem (CID 65439466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).