N-(1-methoxypropan-2-yl)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine

C15H25NO2 — CID 55085991

IUPACN-(1-methoxypropan-2-yl)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine
SMILESCOCC(C)NC1CC(C)(C)Cc2oc(C)cc21
InChIInChI=1S/C15H25NO2/c1-10(9-17-5)16-13-7-15(3,4)8-14-12(13)6-11(2)18-14/h6,10,13,16H,7-9H2,1-5H3
InChIKeyCQRGGASGSOSBHL-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.23
Rot. Bonds4

About N-(1-methoxypropan-2-yl)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine

N-(1-methoxypropan-2-yl)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine (PubChem CID 55085991) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine
PubChem CID55085991
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-(1-methoxypropan-2-yl)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine
SMILESCOCC(C)NC1CC(C)(C)Cc2oc(C)cc21
InChIInChI=1S/C15H25NO2/c1-10(9-17-5)16-13-7-15(3,4)8-14-12(13)6-11(2)18-14/h6,10,13,16H,7-9H2,1-5H3
InChIKeyCQRGGASGSOSBHL-UHFFFAOYSA-N
XLogP3.23
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-methoxypropan-2-yl)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine (CID 55085991) is N-(1-methoxypropan-2-yl)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine is COCC(C)NC1CC(C)(C)Cc2oc(C)cc21.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine?
The InChIKey is CQRGGASGSOSBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-10(9-17-5)16-13-7-15(3,4)8-14-12(13)6-11(2)18-14/h6,10,13,16H,7-9H2,1-5H3.
What are the key properties of N-(1-methoxypropan-2-yl)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine?
N-(1-methoxypropan-2-yl)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine has a molecular weight of 251.37 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine is sourced from PubChem (CID 55085991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).