N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C14H19NO2 — CID 115466591

IUPACN-(7-oxabicyclo[2.2.1]heptan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESc1cc2c(o1)CCCC2NC1CC2CCC1O2
InChIInChI=1S/C14H19NO2/c1-2-11(10-6-7-16-13(10)3-1)15-12-8-9-4-5-14(12)17-9/h6-7,9,11-12,14-15H,1-5,8H2
InChIKeySQOAPZVKSAAOEI-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.57
Rot. Bonds2

About N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 115466591) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID115466591
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESc1cc2c(o1)CCCC2NC1CC2CCC1O2
InChIInChI=1S/C14H19NO2/c1-2-11(10-6-7-16-13(10)3-1)15-12-8-9-4-5-14(12)17-9/h6-7,9,11-12,14-15H,1-5,8H2
InChIKeySQOAPZVKSAAOEI-UHFFFAOYSA-N
XLogP2.57
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine with MolForge

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Related Compounds

N-(6-bicyclo[3.2.0]hept-3-enyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43771922
N-(2-methylcycloheptyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 113315213
N-(3,5-dimethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 64724815
N-(2-methylsulfanylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 103777363
N-(2,4,4-trimethylcyclopentyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 106661736
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)cyclohexan-1-ol
CID 113315107
8-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43131794
N-(2,4,4-trimethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 81321574
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidin-3-amine
CID 79725054
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)formamide
CID 64990494
N-cyclopentyloxy-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 83229241
N-(3-methoxy-2,2-dimethylcyclobutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 107093786

Frequently Asked Questions

What is the IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 115466591) is N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is c1cc2c(o1)CCCC2NC1CC2CCC1O2.
What is the InChIKey of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is SQOAPZVKSAAOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-11(10-6-7-16-13(10)3-1)15-12-8-9-4-5-14(12)17-9/h6-7,9,11-12,14-15H,1-5,8H2.
What are the key properties of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 233.31 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 115466591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).