2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine

C14H18FNO — CID 105046223

IUPAC2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine
SMILESCCC(CC)C(N)c1cc2cc(F)ccc2o1
InChIInChI=1S/C14H18FNO/c1-3-9(4-2)14(16)13-8-10-7-11(15)5-6-12(10)17-13/h5-9,14H,3-4,16H2,1-2H3
InChIKeyUCMNEELYEYEKJZ-UHFFFAOYSA-N
MW235.30 g/mol
LogP4.01
Rot. Bonds4

About 2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine

2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine (PubChem CID 105046223) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine
PubChem CID105046223
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine
SMILESCCC(CC)C(N)c1cc2cc(F)ccc2o1
InChIInChI=1S/C14H18FNO/c1-3-9(4-2)14(16)13-8-10-7-11(15)5-6-12(10)17-13/h5-9,14H,3-4,16H2,1-2H3
InChIKeyUCMNEELYEYEKJZ-UHFFFAOYSA-N
XLogP4.01
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine
CID 105201183
[1-(5-fluoro-1-benzofuran-2-yl)-2-propylpentyl]hydrazine
CID 105338630
2-butan-2-ylsulfanyl-1-(5-fluoro-1-benzofuran-2-yl)ethanamine
CID 114728983
1-(5-fluoro-1-benzofuran-2-yl)decan-1-amine
CID 105046157
1-(5-fluoro-1-benzofuran-2-yl)-2-methoxyethanamine
CID 114728098
diethyl 2-(5-fluoro-1-benzofuran-2-yl)propanedioate
CID 114732709
2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114731292
1-(5-fluoro-1-benzofuran-2-yl)-N,3-dimethylpentan-1-amine
CID 105046111
[2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)ethyl]hydrazine
CID 105235462
1-(5-fluoro-1-benzofuran-2-yl)-2-(2-methoxyethoxy)ethanamine
CID 114032995
N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-phenylethanamine
CID 114727698
1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 65426130

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine?
The IUPAC name of 2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine (CID 105046223) is 2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine.
What is the SMILES notation for 2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine?
The canonical SMILES for 2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine is CCC(CC)C(N)c1cc2cc(F)ccc2o1.
What is the InChIKey of 2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine?
The InChIKey is UCMNEELYEYEKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-3-9(4-2)14(16)13-8-10-7-11(15)5-6-12(10)17-13/h5-9,14H,3-4,16H2,1-2H3.
What are the key properties of 2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine?
2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine has a molecular weight of 235.30 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine is sourced from PubChem (CID 105046223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).