N-ethyl-1-(5-ethyl-1-benzofuran-2-yl)propan-1-amine

C15H21NO — CID 65440784

IUPACN-ethyl-1-(5-ethyl-1-benzofuran-2-yl)propan-1-amine
SMILESCCNC(CC)c1cc2cc(CC)ccc2o1
InChIInChI=1S/C15H21NO/c1-4-11-7-8-14-12(9-11)10-15(17-14)13(5-2)16-6-3/h7-10,13,16H,4-6H2,1-3H3
InChIKeyFHURJIRPTKDFON-UHFFFAOYSA-N
MW231.34 g/mol
LogP4.06
Rot. Bonds5

About N-ethyl-1-(5-ethyl-1-benzofuran-2-yl)propan-1-amine

N-ethyl-1-(5-ethyl-1-benzofuran-2-yl)propan-1-amine (PubChem CID 65440784) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-ethyl-1-(5-ethyl-1-benzofuran-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(5-ethyl-1-benzofuran-2-yl)propan-1-amine
PubChem CID65440784
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-ethyl-1-(5-ethyl-1-benzofuran-2-yl)propan-1-amine
SMILESCCNC(CC)c1cc2cc(CC)ccc2o1
InChIInChI=1S/C15H21NO/c1-4-11-7-8-14-12(9-11)10-15(17-14)13(5-2)16-6-3/h7-10,13,16H,4-6H2,1-3H3
InChIKeyFHURJIRPTKDFON-UHFFFAOYSA-N
XLogP4.06
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethyl-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65441154
1-(5-butyl-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 115493598
N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-phenylethanamine
CID 114727698
1-(1-benzofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 61064901
1-(5-ethyl-1-benzofuran-2-yl)butan-1-ol
CID 65439756
N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine
CID 105163930
1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methylsulfanylethanamine
CID 114728420
N-ethyl-1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]ethanamine
CID 65438441
1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine
CID 105201183
(4-chlorophenyl)-(5-ethyl-1-benzofuran-2-yl)methanamine
CID 43826510
N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105177921
2-tert-butylsulfanyl-N-ethyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine
CID 114728947

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-ethyl-1-benzofuran-2-yl)propan-1-amine?
The IUPAC name of N-ethyl-1-(5-ethyl-1-benzofuran-2-yl)propan-1-amine (CID 65440784) is N-ethyl-1-(5-ethyl-1-benzofuran-2-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(5-ethyl-1-benzofuran-2-yl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(5-ethyl-1-benzofuran-2-yl)propan-1-amine is CCNC(CC)c1cc2cc(CC)ccc2o1.
What is the InChIKey of N-ethyl-1-(5-ethyl-1-benzofuran-2-yl)propan-1-amine?
The InChIKey is FHURJIRPTKDFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-4-11-7-8-14-12(9-11)10-15(17-14)13(5-2)16-6-3/h7-10,13,16H,4-6H2,1-3H3.
What are the key properties of N-ethyl-1-(5-ethyl-1-benzofuran-2-yl)propan-1-amine?
N-ethyl-1-(5-ethyl-1-benzofuran-2-yl)propan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-ethyl-1-benzofuran-2-yl)propan-1-amine is sourced from PubChem (CID 65440784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).