3,3-dimethyl-6,7-dihydro-2H-1-benzofuran-5-amine

C10H15NO — CID 144680077

IUPAC3,3-dimethyl-6,7-dihydro-2H-1-benzofuran-5-amine
SMILESCC1(C)COC2=C1C=C(N)CC2
InChIInChI=1S/C10H15NO/c1-10(2)6-12-9-4-3-7(11)5-8(9)10/h5H,3-4,6,11H2,1-2H3
InChIKeyHOBWLBGZIHFGCU-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.93
Rot. Bonds

About 3,3-dimethyl-6,7-dihydro-2H-1-benzofuran-5-amine

3,3-dimethyl-6,7-dihydro-2H-1-benzofuran-5-amine (PubChem CID 144680077) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 3,3-dimethyl-6,7-dihydro-2H-1-benzofuran-5-amine.

Molecular Properties

Compound Name3,3-dimethyl-6,7-dihydro-2H-1-benzofuran-5-amine
PubChem CID144680077
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name3,3-dimethyl-6,7-dihydro-2H-1-benzofuran-5-amine
SMILESCC1(C)COC2=C1C=C(N)CC2
InChIInChI=1S/C10H15NO/c1-10(2)6-12-9-4-3-7(11)5-8(9)10/h5H,3-4,6,11H2,1-2H3
InChIKeyHOBWLBGZIHFGCU-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6,7-dihydro-2H-1-benzofuran-5-amine?
The IUPAC name of 3,3-dimethyl-6,7-dihydro-2H-1-benzofuran-5-amine (CID 144680077) is 3,3-dimethyl-6,7-dihydro-2H-1-benzofuran-5-amine.
What is the SMILES notation for 3,3-dimethyl-6,7-dihydro-2H-1-benzofuran-5-amine?
The canonical SMILES for 3,3-dimethyl-6,7-dihydro-2H-1-benzofuran-5-amine is CC1(C)COC2=C1C=C(N)CC2.
What is the InChIKey of 3,3-dimethyl-6,7-dihydro-2H-1-benzofuran-5-amine?
The InChIKey is HOBWLBGZIHFGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-10(2)6-12-9-4-3-7(11)5-8(9)10/h5H,3-4,6,11H2,1-2H3.
What are the key properties of 3,3-dimethyl-6,7-dihydro-2H-1-benzofuran-5-amine?
3,3-dimethyl-6,7-dihydro-2H-1-benzofuran-5-amine has a molecular weight of 165.24 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6,7-dihydro-2H-1-benzofuran-5-amine is sourced from PubChem (CID 144680077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).