(2R)-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-amine

C10H13NO — CID 86718009

IUPAC(2R)-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-amine
SMILESCc1cc(N)c2c(c1)C[C@@H](C)O2
InChIInChI=1S/C10H13NO/c1-6-3-8-5-7(2)12-10(8)9(11)4-6/h3-4,7H,5,11H2,1-2H3/t7-/m1/s1
InChIKeyWOBMMEOGXQOSEL-SSDOTTSWSA-N
MW163.22 g/mol
LogP1.90
Rot. Bonds

About (2R)-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-amine

(2R)-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-amine (PubChem CID 86718009) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (2R)-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-amine.

Molecular Properties

Compound Name(2R)-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-amine
PubChem CID86718009
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(2R)-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-amine
SMILESCc1cc(N)c2c(c1)C[C@@H](C)O2
InChIInChI=1S/C10H13NO/c1-6-3-8-5-7(2)12-10(8)9(11)4-6/h3-4,7H,5,11H2,1-2H3/t7-/m1/s1
InChIKeyWOBMMEOGXQOSEL-SSDOTTSWSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-amine?
The IUPAC name of (2R)-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-amine (CID 86718009) is (2R)-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-amine.
What is the SMILES notation for (2R)-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-amine?
The canonical SMILES for (2R)-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-amine is Cc1cc(N)c2c(c1)C[C@@H](C)O2.
What is the InChIKey of (2R)-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-amine?
The InChIKey is WOBMMEOGXQOSEL-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13NO/c1-6-3-8-5-7(2)12-10(8)9(11)4-6/h3-4,7H,5,11H2,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-amine?
(2R)-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-amine has a molecular weight of 163.22 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-amine is sourced from PubChem (CID 86718009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).