N-benzyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-amine

C24H25NO — CID 68708658

IUPACN-benzyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-amine
SMILESCC(C)c1ccc(C2COc3ccc(NCc4ccccc4)cc32)cc1
InChIInChI=1S/C24H25NO/c1-17(2)19-8-10-20(11-9-19)23-16-26-24-13-12-21(14-22(23)24)25-15-18-6-4-3-5-7-18/h3-14,17,23,25H,15-16H2,1-2H3
InChIKeyOXQFFRIQHQWNSI-UHFFFAOYSA-N
MW343.47 g/mol
LogP5.95
Rot. Bonds5

About N-benzyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-amine

N-benzyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-amine (PubChem CID 68708658) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol. Its IUPAC name is N-benzyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-benzyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-amine
PubChem CID68708658
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC NameN-benzyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-amine
SMILESCC(C)c1ccc(C2COc3ccc(NCc4ccccc4)cc32)cc1
InChIInChI=1S/C24H25NO/c1-17(2)19-8-10-20(11-9-19)23-16-26-24-13-12-21(14-22(23)24)25-15-18-6-4-3-5-7-18/h3-14,17,23,25H,15-16H2,1-2H3
InChIKeyOXQFFRIQHQWNSI-UHFFFAOYSA-N
XLogP5.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-amine?
The IUPAC name of N-benzyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-amine (CID 68708658) is N-benzyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-amine.
What is the SMILES notation for N-benzyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-amine?
The canonical SMILES for N-benzyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-amine is CC(C)c1ccc(C2COc3ccc(NCc4ccccc4)cc32)cc1.
What is the InChIKey of N-benzyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-amine?
The InChIKey is OXQFFRIQHQWNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO/c1-17(2)19-8-10-20(11-9-19)23-16-26-24-13-12-21(14-22(23)24)25-15-18-6-4-3-5-7-18/h3-14,17,23,25H,15-16H2,1-2H3.
What are the key properties of N-benzyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-amine?
N-benzyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-amine has a molecular weight of 343.47 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-amine is sourced from PubChem (CID 68708658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).