(3R,6S)-2,3,4,5,6,7-hexahydro-1-benzofuran-3,6-diamine

C8H14N2O — CID 163454767

IUPAC(3R,6S)-2,3,4,5,6,7-hexahydro-1-benzofuran-3,6-diamine
SMILESN[C@H]1CCC2=C(C1)OC[C@@H]2N
InChIInChI=1S/C8H14N2O/c9-5-1-2-6-7(10)4-11-8(6)3-5/h5,7H,1-4,9-10H2/t5-,7-/m0/s1
InChIKeyBJMVRQOYVLBVES-FSPLSTOPSA-N
MW154.21 g/mol
LogP0.11
Rot. Bonds

About (3R,6S)-2,3,4,5,6,7-hexahydro-1-benzofuran-3,6-diamine

(3R,6S)-2,3,4,5,6,7-hexahydro-1-benzofuran-3,6-diamine (PubChem CID 163454767) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (3R,6S)-2,3,4,5,6,7-hexahydro-1-benzofuran-3,6-diamine.

Molecular Properties

Compound Name(3R,6S)-2,3,4,5,6,7-hexahydro-1-benzofuran-3,6-diamine
PubChem CID163454767
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(3R,6S)-2,3,4,5,6,7-hexahydro-1-benzofuran-3,6-diamine
SMILESN[C@H]1CCC2=C(C1)OC[C@@H]2N
InChIInChI=1S/C8H14N2O/c9-5-1-2-6-7(10)4-11-8(6)3-5/h5,7H,1-4,9-10H2/t5-,7-/m0/s1
InChIKeyBJMVRQOYVLBVES-FSPLSTOPSA-N
XLogP0.11
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,6S)-2,3,4,5,6,7-hexahydro-1-benzofuran-3,6-diamine 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,6S)-2,3,4,5,6,7-hexahydro-1-benzofuran-3,6-diamine?
The IUPAC name of (3R,6S)-2,3,4,5,6,7-hexahydro-1-benzofuran-3,6-diamine (CID 163454767) is (3R,6S)-2,3,4,5,6,7-hexahydro-1-benzofuran-3,6-diamine.
What is the SMILES notation for (3R,6S)-2,3,4,5,6,7-hexahydro-1-benzofuran-3,6-diamine?
The canonical SMILES for (3R,6S)-2,3,4,5,6,7-hexahydro-1-benzofuran-3,6-diamine is N[C@H]1CCC2=C(C1)OC[C@@H]2N.
What is the InChIKey of (3R,6S)-2,3,4,5,6,7-hexahydro-1-benzofuran-3,6-diamine?
The InChIKey is BJMVRQOYVLBVES-FSPLSTOPSA-N. The full InChI is InChI=1S/C8H14N2O/c9-5-1-2-6-7(10)4-11-8(6)3-5/h5,7H,1-4,9-10H2/t5-,7-/m0/s1.
What are the key properties of (3R,6S)-2,3,4,5,6,7-hexahydro-1-benzofuran-3,6-diamine?
(3R,6S)-2,3,4,5,6,7-hexahydro-1-benzofuran-3,6-diamine has a molecular weight of 154.21 g/mol, XLogP of 0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-2,3,4,5,6,7-hexahydro-1-benzofuran-3,6-diamine is sourced from PubChem (CID 163454767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).