N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine

C23H29NO2 — CID 10569963

IUPACN-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1Nc1ccc3c(c1)CC(C)(C)O3)CC(C)(C)O2
InChIInChI=1S/C23H29NO2/c1-13-14(2)21-18(12-23(6,7)26-21)15(3)20(13)24-17-8-9-19-16(10-17)11-22(4,5)25-19/h8-10,24H,11-12H2,1-7H3
InChIKeyHVCJRQDZGVSDNM-UHFFFAOYSA-N
MW351.49 g/mol
LogP5.78
Rot. Bonds2

About N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine

N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine (PubChem CID 10569963) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine
PubChem CID10569963
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC NameN-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1Nc1ccc3c(c1)CC(C)(C)O3)CC(C)(C)O2
InChIInChI=1S/C23H29NO2/c1-13-14(2)21-18(12-23(6,7)26-21)15(3)20(13)24-17-8-9-19-16(10-17)11-22(4,5)25-19/h8-10,24H,11-12H2,1-7H3
InChIKeyHVCJRQDZGVSDNM-UHFFFAOYSA-N
XLogP5.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine?
The IUPAC name of N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine (CID 10569963) is N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine.
What is the SMILES notation for N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine?
The canonical SMILES for N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine is Cc1c(C)c2c(c(C)c1Nc1ccc3c(c1)CC(C)(C)O3)CC(C)(C)O2.
What is the InChIKey of N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine?
The InChIKey is HVCJRQDZGVSDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-13-14(2)21-18(12-23(6,7)26-21)15(3)20(13)24-17-8-9-19-16(10-17)11-22(4,5)25-19/h8-10,24H,11-12H2,1-7H3.
What are the key properties of N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine?
N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine has a molecular weight of 351.49 g/mol, XLogP of 5.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine is sourced from PubChem (CID 10569963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).