2-methyl-N-[(3,5,6-trimethyl-1-benzofuran-2-yl)methyl]propan-2-amine

C16H23NO — CID 81048795

IUPAC2-methyl-N-[(3,5,6-trimethyl-1-benzofuran-2-yl)methyl]propan-2-amine
SMILESCc1cc2oc(CNC(C)(C)C)c(C)c2cc1C
InChIInChI=1S/C16H23NO/c1-10-7-13-12(3)15(9-17-16(4,5)6)18-14(13)8-11(10)2/h7-8,17H,9H2,1-6H3
InChIKeySEOXNSTYNOIVKL-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.25
Rot. Bonds2

About 2-methyl-N-[(3,5,6-trimethyl-1-benzofuran-2-yl)methyl]propan-2-amine

2-methyl-N-[(3,5,6-trimethyl-1-benzofuran-2-yl)methyl]propan-2-amine (PubChem CID 81048795) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-methyl-N-[(3,5,6-trimethyl-1-benzofuran-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(3,5,6-trimethyl-1-benzofuran-2-yl)methyl]propan-2-amine
PubChem CID81048795
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-methyl-N-[(3,5,6-trimethyl-1-benzofuran-2-yl)methyl]propan-2-amine
SMILESCc1cc2oc(CNC(C)(C)C)c(C)c2cc1C
InChIInChI=1S/C16H23NO/c1-10-7-13-12(3)15(9-17-16(4,5)6)18-14(13)8-11(10)2/h7-8,17H,9H2,1-6H3
InChIKeySEOXNSTYNOIVKL-UHFFFAOYSA-N
XLogP4.25
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-[(3,5,6-trimethyl-1-benzofuran-2-yl)methyl]propan-2-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 2-methyl-N-[(3,5,6-trimethyl-1-benzofuran-2-yl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(3,5,6-trimethyl-1-benzofuran-2-yl)methyl]propan-2-amine (CID 81048795) is 2-methyl-N-[(3,5,6-trimethyl-1-benzofuran-2-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(3,5,6-trimethyl-1-benzofuran-2-yl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(3,5,6-trimethyl-1-benzofuran-2-yl)methyl]propan-2-amine is Cc1cc2oc(CNC(C)(C)C)c(C)c2cc1C.
What is the InChIKey of 2-methyl-N-[(3,5,6-trimethyl-1-benzofuran-2-yl)methyl]propan-2-amine?
The InChIKey is SEOXNSTYNOIVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-10-7-13-12(3)15(9-17-16(4,5)6)18-14(13)8-11(10)2/h7-8,17H,9H2,1-6H3.
What are the key properties of 2-methyl-N-[(3,5,6-trimethyl-1-benzofuran-2-yl)methyl]propan-2-amine?
2-methyl-N-[(3,5,6-trimethyl-1-benzofuran-2-yl)methyl]propan-2-amine has a molecular weight of 245.37 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3,5,6-trimethyl-1-benzofuran-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 81048795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).