N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidin-3-amine

C12H18N2O — CID 79725054

IUPACN-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidin-3-amine
SMILESc1cc2c(o1)CCCC2NC1CCNC1
InChIInChI=1S/C12H18N2O/c1-2-11(14-9-4-6-13-8-9)10-5-7-15-12(10)3-1/h5,7,9,11,13-14H,1-4,6,8H2
InChIKeyPUKBZJOUBIOHRL-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.61
Rot. Bonds2

About N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidin-3-amine

N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidin-3-amine (PubChem CID 79725054) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidin-3-amine
PubChem CID79725054
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidin-3-amine
SMILESc1cc2c(o1)CCCC2NC1CCNC1
InChIInChI=1S/C12H18N2O/c1-2-11(14-9-4-6-13-8-9)10-5-7-15-12(10)3-1/h5,7,9,11,13-14H,1-4,6,8H2
InChIKeyPUKBZJOUBIOHRL-UHFFFAOYSA-N
XLogP1.61
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidin-3-amine?
The IUPAC name of N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidin-3-amine (CID 79725054) is N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidin-3-amine?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidin-3-amine is c1cc2c(o1)CCCC2NC1CCNC1.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidin-3-amine?
The InChIKey is PUKBZJOUBIOHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-11(14-9-4-6-13-8-9)10-5-7-15-12(10)3-1/h5,7,9,11,13-14H,1-4,6,8H2.
What are the key properties of N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidin-3-amine?
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidin-3-amine has a molecular weight of 206.29 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 79725054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).