N-[(7-tert-butyl-3,4-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine

C19H29NO — CID 81041067

IUPACN-[(7-tert-butyl-3,4-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
SMILESCc1ccc(C(C)(C)C)c2oc(CNC(C)(C)C)c(C)c12
InChIInChI=1S/C19H29NO/c1-12-9-10-14(18(3,4)5)17-16(12)13(2)15(21-17)11-20-19(6,7)8/h9-10,20H,11H2,1-8H3
InChIKeyVPSAMBXNPOUYGG-UHFFFAOYSA-N
MW287.45 g/mol
LogP5.24
Rot. Bonds2

About N-[(7-tert-butyl-3,4-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine

N-[(7-tert-butyl-3,4-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine (PubChem CID 81041067) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[(7-tert-butyl-3,4-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(7-tert-butyl-3,4-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
PubChem CID81041067
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[(7-tert-butyl-3,4-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
SMILESCc1ccc(C(C)(C)C)c2oc(CNC(C)(C)C)c(C)c12
InChIInChI=1S/C19H29NO/c1-12-9-10-14(18(3,4)5)17-16(12)13(2)15(21-17)11-20-19(6,7)8/h9-10,20H,11H2,1-8H3
InChIKeyVPSAMBXNPOUYGG-UHFFFAOYSA-N
XLogP5.24
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.45
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(7-tert-butyl-3,4-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-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 N-[(7-tert-butyl-3,4-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(7-tert-butyl-3,4-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine (CID 81041067) is N-[(7-tert-butyl-3,4-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(7-tert-butyl-3,4-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(7-tert-butyl-3,4-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine is Cc1ccc(C(C)(C)C)c2oc(CNC(C)(C)C)c(C)c12.
What is the InChIKey of N-[(7-tert-butyl-3,4-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is VPSAMBXNPOUYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-12-9-10-14(18(3,4)5)17-16(12)13(2)15(21-17)11-20-19(6,7)8/h9-10,20H,11H2,1-8H3.
What are the key properties of N-[(7-tert-butyl-3,4-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine?
N-[(7-tert-butyl-3,4-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 287.45 g/mol, XLogP of 5.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-tert-butyl-3,4-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81041067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).