1-dibenzofuran-4-ylethane-1,2-diamine

C14H14N2O — CID 66517310

IUPAC1-dibenzofuran-4-ylethane-1,2-diamine
SMILESNCC(N)c1cccc2c1oc1ccccc12
InChIInChI=1S/C14H14N2O/c15-8-12(16)11-6-3-5-10-9-4-1-2-7-13(9)17-14(10)11/h1-7,12H,8,15-16H2
InChIKeyUSOVKNFPYLRFCS-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.54
Rot. Bonds2

About 1-dibenzofuran-4-ylethane-1,2-diamine

1-dibenzofuran-4-ylethane-1,2-diamine (PubChem CID 66517310) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-dibenzofuran-4-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-dibenzofuran-4-ylethane-1,2-diamine
PubChem CID66517310
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name1-dibenzofuran-4-ylethane-1,2-diamine
SMILESNCC(N)c1cccc2c1oc1ccccc12
InChIInChI=1S/C14H14N2O/c15-8-12(16)11-6-3-5-10-9-4-1-2-7-13(9)17-14(10)11/h1-7,12H,8,15-16H2
InChIKeyUSOVKNFPYLRFCS-UHFFFAOYSA-N
XLogP2.54
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-4-ylethane-1,2-diamine?
The IUPAC name of 1-dibenzofuran-4-ylethane-1,2-diamine (CID 66517310) is 1-dibenzofuran-4-ylethane-1,2-diamine.
What is the SMILES notation for 1-dibenzofuran-4-ylethane-1,2-diamine?
The canonical SMILES for 1-dibenzofuran-4-ylethane-1,2-diamine is NCC(N)c1cccc2c1oc1ccccc12.
What is the InChIKey of 1-dibenzofuran-4-ylethane-1,2-diamine?
The InChIKey is USOVKNFPYLRFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c15-8-12(16)11-6-3-5-10-9-4-1-2-7-13(9)17-14(10)11/h1-7,12H,8,15-16H2.
What are the key properties of 1-dibenzofuran-4-ylethane-1,2-diamine?
1-dibenzofuran-4-ylethane-1,2-diamine has a molecular weight of 226.28 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-4-ylethane-1,2-diamine is sourced from PubChem (CID 66517310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).