N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine

C18H23NO2 — CID 80715279

IUPACN-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCCc1c(C(C)NC2CC3CCC2O3)oc2ccccc12
InChIInChI=1S/C18H23NO2/c1-3-13-14-6-4-5-7-16(14)21-18(13)11(2)19-15-10-12-8-9-17(15)20-12/h4-7,11-12,15,17,19H,3,8-10H2,1-2H3
InChIKeyKYNACQJFWLDGDT-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.97
Rot. Bonds4

About N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine

N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 80715279) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID80715279
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCCc1c(C(C)NC2CC3CCC2O3)oc2ccccc12
InChIInChI=1S/C18H23NO2/c1-3-13-14-6-4-5-7-16(14)21-18(13)11(2)19-15-10-12-8-9-17(15)20-12/h4-7,11-12,15,17,19H,3,8-10H2,1-2H3
InChIKeyKYNACQJFWLDGDT-UHFFFAOYSA-N
XLogP3.97
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]cyclobutanamine
CID 55067360
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 114544145
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-1-methylpyrrolidin-3-amine
CID 61462424
1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 166532068
2-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]benzene-1,3-diol
CID 107711100
N-(1-benzofuran-3-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80714828
N',N'-diethyl-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]ethane-1,2-diamine
CID 43108977
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine
CID 43099760
4-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propyl]phenol
CID 80715696
N-[1-(1-benzothiophen-2-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 114909997
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80715882
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 104578869

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine (CID 80715279) is N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine is CCc1c(C(C)NC2CC3CCC2O3)oc2ccccc12.
What is the InChIKey of N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is KYNACQJFWLDGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-13-14-6-4-5-7-16(14)21-18(13)11(2)19-15-10-12-8-9-17(15)20-12/h4-7,11-12,15,17,19H,3,8-10H2,1-2H3.
What are the key properties of N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 285.39 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 80715279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).