N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine

C16H23NO — CID 43224187

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine
SMILESCCC(CC)CNC(C)c1cc2ccccc2o1
InChIInChI=1S/C16H23NO/c1-4-13(5-2)11-17-12(3)16-10-14-8-6-7-9-15(14)18-16/h6-10,12-13,17H,4-5,11H2,1-3H3
InChIKeyDGOYEPOXEDHLSD-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.52
Rot. Bonds6

About N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine

N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine (PubChem CID 43224187) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine
PubChem CID43224187
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine
SMILESCCC(CC)CNC(C)c1cc2ccccc2o1
InChIInChI=1S/C16H23NO/c1-4-13(5-2)11-17-12(3)16-10-14-8-6-7-9-15(14)18-16/h6-10,12-13,17H,4-5,11H2,1-3H3
InChIKeyDGOYEPOXEDHLSD-UHFFFAOYSA-N
XLogP4.52
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(1-benzofuran-2-yl)ethylamino]-3-ethylpentan-2-ol
CID 103783098
N-[1-(1-benzofuran-2-yl)ethyl]butan-2-amine
CID 43190306
1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine
CID 103781695
N-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine
CID 43080080
2-[1-(1-benzofuran-2-yl)ethylamino]-1-cyclopropylethanol
CID 63295328
1-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)ethanamine
CID 43403744
2-butan-2-yl-1-benzofuran
CID 12065919
3-[1-(1-benzofuran-2-yl)ethylamino]propan-1-ol
CID 43182921
2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]phenol
CID 43722013
N-[1-(1-benzofuran-2-yl)ethyl]-2-bromoprop-2-en-1-amine
CID 115717326
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-methylpropyl)acetamide
CID 115574812
1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43203173

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine (CID 43224187) is N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine is CCC(CC)CNC(C)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine?
The InChIKey is DGOYEPOXEDHLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-13(5-2)11-17-12(3)16-10-14-8-6-7-9-15(14)18-16/h6-10,12-13,17H,4-5,11H2,1-3H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine?
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine is sourced from PubChem (CID 43224187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).