(3R)-2-but-3-enyl-2-propyl-3H-1-benzofuran-3-amine

C15H21NO — CID 139524109

IUPAC(3R)-2-but-3-enyl-2-propyl-3H-1-benzofuran-3-amine
SMILESC=CCCC1(CCC)Oc2ccccc2[C@H]1N
InChIInChI=1S/C15H21NO/c1-3-5-11-15(10-4-2)14(16)12-8-6-7-9-13(12)17-15/h3,6-9,14H,1,4-5,10-11,16H2,2H3/t14-,15?/m1/s1
InChIKeyJDBADPLIQUXWOU-GICMACPYSA-N
MW231.34 g/mol
LogP3.58
Rot. Bonds5

About (3R)-2-but-3-enyl-2-propyl-3H-1-benzofuran-3-amine

(3R)-2-but-3-enyl-2-propyl-3H-1-benzofuran-3-amine (PubChem CID 139524109) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (3R)-2-but-3-enyl-2-propyl-3H-1-benzofuran-3-amine.

Molecular Properties

Compound Name(3R)-2-but-3-enyl-2-propyl-3H-1-benzofuran-3-amine
PubChem CID139524109
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(3R)-2-but-3-enyl-2-propyl-3H-1-benzofuran-3-amine
SMILESC=CCCC1(CCC)Oc2ccccc2[C@H]1N
InChIInChI=1S/C15H21NO/c1-3-5-11-15(10-4-2)14(16)12-8-6-7-9-13(12)17-15/h3,6-9,14H,1,4-5,10-11,16H2,2H3/t14-,15?/m1/s1
InChIKeyJDBADPLIQUXWOU-GICMACPYSA-N
XLogP3.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3R)-2-but-3-enyl-2-propyl-3H-1-benzofuran-3-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 (3R)-2-but-3-enyl-2-propyl-3H-1-benzofuran-3-amine?
The IUPAC name of (3R)-2-but-3-enyl-2-propyl-3H-1-benzofuran-3-amine (CID 139524109) is (3R)-2-but-3-enyl-2-propyl-3H-1-benzofuran-3-amine.
What is the SMILES notation for (3R)-2-but-3-enyl-2-propyl-3H-1-benzofuran-3-amine?
The canonical SMILES for (3R)-2-but-3-enyl-2-propyl-3H-1-benzofuran-3-amine is C=CCCC1(CCC)Oc2ccccc2[C@H]1N.
What is the InChIKey of (3R)-2-but-3-enyl-2-propyl-3H-1-benzofuran-3-amine?
The InChIKey is JDBADPLIQUXWOU-GICMACPYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-5-11-15(10-4-2)14(16)12-8-6-7-9-13(12)17-15/h3,6-9,14H,1,4-5,10-11,16H2,2H3/t14-,15?/m1/s1.
What are the key properties of (3R)-2-but-3-enyl-2-propyl-3H-1-benzofuran-3-amine?
(3R)-2-but-3-enyl-2-propyl-3H-1-benzofuran-3-amine has a molecular weight of 231.34 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-but-3-enyl-2-propyl-3H-1-benzofuran-3-amine is sourced from PubChem (CID 139524109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).