1-(2-ethyl-1-benzofuran-3-yl)butan-1-amine

C14H19NO — CID 62955226

IUPAC1-(2-ethyl-1-benzofuran-3-yl)butan-1-amine
SMILESCCCC(N)c1c(CC)oc2ccccc12
InChIInChI=1S/C14H19NO/c1-3-7-11(15)14-10-8-5-6-9-13(10)16-12(14)4-2/h5-6,8-9,11H,3-4,7,15H2,1-2H3
InChIKeySQBXJFCIBXYUIZ-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.80
Rot. Bonds4

About 1-(2-ethyl-1-benzofuran-3-yl)butan-1-amine

1-(2-ethyl-1-benzofuran-3-yl)butan-1-amine (PubChem CID 62955226) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(2-ethyl-1-benzofuran-3-yl)butan-1-amine.

Molecular Properties

Compound Name1-(2-ethyl-1-benzofuran-3-yl)butan-1-amine
PubChem CID62955226
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(2-ethyl-1-benzofuran-3-yl)butan-1-amine
SMILESCCCC(N)c1c(CC)oc2ccccc12
InChIInChI=1S/C14H19NO/c1-3-7-11(15)14-10-8-5-6-9-13(10)16-12(14)4-2/h5-6,8-9,11H,3-4,7,15H2,1-2H3
InChIKeySQBXJFCIBXYUIZ-UHFFFAOYSA-N
XLogP3.80
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine
CID 62956806
(2-ethyl-1-benzofuran-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66475548
(2-ethyl-1-benzofuran-3-yl)-(4-iodophenyl)methanamine
CID 63504591
1-(2-ethyl-1-benzofuran-3-yl)-2-methylsulfonylpropan-1-amine
CID 104518865
N-ethyl-1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine
CID 55195132
1-(2-ethyl-1-benzofuran-3-yl)-N-methyloctan-1-amine
CID 63506223
(2,5-dichlorophenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine
CID 63506552
(3-chlorothiophen-2-yl)-(2-ethyl-1-benzofuran-3-yl)methanamine
CID 80644384
(3-chloro-4-methylphenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine
CID 63506381
(5-chloro-2-methylphenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine
CID 82870692
1-(2-ethyl-1-benzofuran-3-yl)-2-methylpentan-1-one
CID 63496415
1-(4-bromophenyl)-1-(2-ethyl-1-benzofuran-3-yl)-N-methylmethanamine
CID 63504432

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1-benzofuran-3-yl)butan-1-amine?
The IUPAC name of 1-(2-ethyl-1-benzofuran-3-yl)butan-1-amine (CID 62955226) is 1-(2-ethyl-1-benzofuran-3-yl)butan-1-amine.
What is the SMILES notation for 1-(2-ethyl-1-benzofuran-3-yl)butan-1-amine?
The canonical SMILES for 1-(2-ethyl-1-benzofuran-3-yl)butan-1-amine is CCCC(N)c1c(CC)oc2ccccc12.
What is the InChIKey of 1-(2-ethyl-1-benzofuran-3-yl)butan-1-amine?
The InChIKey is SQBXJFCIBXYUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-7-11(15)14-10-8-5-6-9-13(10)16-12(14)4-2/h5-6,8-9,11H,3-4,7,15H2,1-2H3.
What are the key properties of 1-(2-ethyl-1-benzofuran-3-yl)butan-1-amine?
1-(2-ethyl-1-benzofuran-3-yl)butan-1-amine has a molecular weight of 217.31 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1-benzofuran-3-yl)butan-1-amine is sourced from PubChem (CID 62955226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).