5,7-di(propan-2-yl)-1-benzofuran-4-amine

C14H19NO — CID 176877209

IUPAC5,7-di(propan-2-yl)-1-benzofuran-4-amine
SMILESCC(C)c1cc(C(C)C)c2occc2c1N
InChIInChI=1S/C14H19NO/c1-8(2)11-7-12(9(3)4)14-10(13(11)15)5-6-16-14/h5-9H,15H2,1-4H3
InChIKeyMVLGBMWVZAHIFU-UHFFFAOYSA-N
MW217.31 g/mol
LogP4.26
Rot. Bonds2

About 5,7-di(propan-2-yl)-1-benzofuran-4-amine

5,7-di(propan-2-yl)-1-benzofuran-4-amine (PubChem CID 176877209) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 5,7-di(propan-2-yl)-1-benzofuran-4-amine.

Molecular Properties

Compound Name5,7-di(propan-2-yl)-1-benzofuran-4-amine
PubChem CID176877209
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name5,7-di(propan-2-yl)-1-benzofuran-4-amine
SMILESCC(C)c1cc(C(C)C)c2occc2c1N
InChIInChI=1S/C14H19NO/c1-8(2)11-7-12(9(3)4)14-10(13(11)15)5-6-16-14/h5-9H,15H2,1-4H3
InChIKeyMVLGBMWVZAHIFU-UHFFFAOYSA-N
XLogP4.26
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,7-di(propan-2-yl)-1-benzofuran-4-amine?
The IUPAC name of 5,7-di(propan-2-yl)-1-benzofuran-4-amine (CID 176877209) is 5,7-di(propan-2-yl)-1-benzofuran-4-amine.
What is the SMILES notation for 5,7-di(propan-2-yl)-1-benzofuran-4-amine?
The canonical SMILES for 5,7-di(propan-2-yl)-1-benzofuran-4-amine is CC(C)c1cc(C(C)C)c2occc2c1N.
What is the InChIKey of 5,7-di(propan-2-yl)-1-benzofuran-4-amine?
The InChIKey is MVLGBMWVZAHIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-8(2)11-7-12(9(3)4)14-10(13(11)15)5-6-16-14/h5-9H,15H2,1-4H3.
What are the key properties of 5,7-di(propan-2-yl)-1-benzofuran-4-amine?
5,7-di(propan-2-yl)-1-benzofuran-4-amine has a molecular weight of 217.31 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-di(propan-2-yl)-1-benzofuran-4-amine is sourced from PubChem (CID 176877209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).