(2-ethyl-1-benzofuran-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine

C18H25NO — CID 66475548

IUPAC(2-ethyl-1-benzofuran-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCCc1oc2ccccc2c1C(N)C1C(C)(C)C1(C)C
InChIInChI=1S/C18H25NO/c1-6-12-14(11-9-7-8-10-13(11)20-12)15(19)16-17(2,3)18(16,4)5/h7-10,15-16H,6,19H2,1-5H3
InChIKeyZRTZBBXCDWFCTN-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.68
Rot. Bonds3

About (2-ethyl-1-benzofuran-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine

(2-ethyl-1-benzofuran-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine (PubChem CID 66475548) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is (2-ethyl-1-benzofuran-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine.

Molecular Properties

Compound Name(2-ethyl-1-benzofuran-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
PubChem CID66475548
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name(2-ethyl-1-benzofuran-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCCc1oc2ccccc2c1C(N)C1C(C)(C)C1(C)C
InChIInChI=1S/C18H25NO/c1-6-12-14(11-9-7-8-10-13(11)20-12)15(19)16-17(2,3)18(16,4)5/h7-10,15-16H,6,19H2,1-5H3
InChIKeyZRTZBBXCDWFCTN-UHFFFAOYSA-N
XLogP4.68
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-ethyl-1-benzofuran-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine 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-ethyl-1-benzofuran-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The IUPAC name of (2-ethyl-1-benzofuran-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine (CID 66475548) is (2-ethyl-1-benzofuran-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine.
What is the SMILES notation for (2-ethyl-1-benzofuran-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The canonical SMILES for (2-ethyl-1-benzofuran-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine is CCc1oc2ccccc2c1C(N)C1C(C)(C)C1(C)C.
What is the InChIKey of (2-ethyl-1-benzofuran-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The InChIKey is ZRTZBBXCDWFCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-6-12-14(11-9-7-8-10-13(11)20-12)15(19)16-17(2,3)18(16,4)5/h7-10,15-16H,6,19H2,1-5H3.
What are the key properties of (2-ethyl-1-benzofuran-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine?
(2-ethyl-1-benzofuran-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine has a molecular weight of 271.40 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1-benzofuran-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine is sourced from PubChem (CID 66475548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).