(2S)-2,3-dimethyl-2,3-dihydro-1-benzofuran-4-amine

C10H13NO — CID 166864646

IUPAC(2S)-2,3-dimethyl-2,3-dihydro-1-benzofuran-4-amine
SMILESCC1c2c(N)cccc2O[C@H]1C
InChIInChI=1S/C10H13NO/c1-6-7(2)12-9-5-3-4-8(11)10(6)9/h3-7H,11H2,1-2H3/t6?,7-/m0/s1
InChIKeyVOVHXYTVLUHWHO-MLWJPKLSSA-N
MW163.22 g/mol
LogP2.15
Rot. Bonds

About (2S)-2,3-dimethyl-2,3-dihydro-1-benzofuran-4-amine

(2S)-2,3-dimethyl-2,3-dihydro-1-benzofuran-4-amine (PubChem CID 166864646) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (2S)-2,3-dimethyl-2,3-dihydro-1-benzofuran-4-amine.

Molecular Properties

Compound Name(2S)-2,3-dimethyl-2,3-dihydro-1-benzofuran-4-amine
PubChem CID166864646
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(2S)-2,3-dimethyl-2,3-dihydro-1-benzofuran-4-amine
SMILESCC1c2c(N)cccc2O[C@H]1C
InChIInChI=1S/C10H13NO/c1-6-7(2)12-9-5-3-4-8(11)10(6)9/h3-7H,11H2,1-2H3/t6?,7-/m0/s1
InChIKeyVOVHXYTVLUHWHO-MLWJPKLSSA-N
XLogP2.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2,3-dimethyl-2,3-dihydro-1-benzofuran-4-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 (2S)-2,3-dimethyl-2,3-dihydro-1-benzofuran-4-amine?
The IUPAC name of (2S)-2,3-dimethyl-2,3-dihydro-1-benzofuran-4-amine (CID 166864646) is (2S)-2,3-dimethyl-2,3-dihydro-1-benzofuran-4-amine.
What is the SMILES notation for (2S)-2,3-dimethyl-2,3-dihydro-1-benzofuran-4-amine?
The canonical SMILES for (2S)-2,3-dimethyl-2,3-dihydro-1-benzofuran-4-amine is CC1c2c(N)cccc2O[C@H]1C.
What is the InChIKey of (2S)-2,3-dimethyl-2,3-dihydro-1-benzofuran-4-amine?
The InChIKey is VOVHXYTVLUHWHO-MLWJPKLSSA-N. The full InChI is InChI=1S/C10H13NO/c1-6-7(2)12-9-5-3-4-8(11)10(6)9/h3-7H,11H2,1-2H3/t6?,7-/m0/s1.
What are the key properties of (2S)-2,3-dimethyl-2,3-dihydro-1-benzofuran-4-amine?
(2S)-2,3-dimethyl-2,3-dihydro-1-benzofuran-4-amine has a molecular weight of 163.22 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-dimethyl-2,3-dihydro-1-benzofuran-4-amine is sourced from PubChem (CID 166864646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).