[7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

C17H19NO — CID 11960767

IUPAC[7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCc1cccc(C)c1-c1cccc2c1OC(CN)C2
InChIInChI=1S/C17H19NO/c1-11-5-3-6-12(2)16(11)15-8-4-7-13-9-14(10-18)19-17(13)15/h3-8,14H,9-10,18H2,1-2H3
InChIKeyUHVPWPUIFXZKRX-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.23
Rot. Bonds2

About [7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

[7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 11960767) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is [7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID11960767
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name[7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCc1cccc(C)c1-c1cccc2c1OC(CN)C2
InChIInChI=1S/C17H19NO/c1-11-5-3-6-12(2)16(11)15-8-4-7-13-9-14(10-18)19-17(13)15/h3-8,14H,9-10,18H2,1-2H3
InChIKeyUHVPWPUIFXZKRX-UHFFFAOYSA-N
XLogP3.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 11960767) is [7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is Cc1cccc(C)c1-c1cccc2c1OC(CN)C2.
What is the InChIKey of [7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is UHVPWPUIFXZKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-11-5-3-6-12(2)16(11)15-8-4-7-13-9-14(10-18)19-17(13)15/h3-8,14H,9-10,18H2,1-2H3.
What are the key properties of [7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 253.35 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 11960767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).