[5-(3,5-dimethylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine

C17H19NO — CID 104703299

IUPAC[5-(3,5-dimethylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
SMILESCc1cc(C)cc(-c2cc(CN)c3c(c2)CCO3)c1
InChIInChI=1S/C17H19NO/c1-11-5-12(2)7-14(6-11)15-8-13-3-4-19-17(13)16(9-15)10-18/h5-9H,3-4,10,18H2,1-2H3
InChIKeyMQHFNQBGLWLBLJ-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.36
Rot. Bonds2

About [5-(3,5-dimethylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine

[5-(3,5-dimethylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine (PubChem CID 104703299) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is [5-(3,5-dimethylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine.

Molecular Properties

Compound Name[5-(3,5-dimethylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
PubChem CID104703299
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name[5-(3,5-dimethylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
SMILESCc1cc(C)cc(-c2cc(CN)c3c(c2)CCO3)c1
InChIInChI=1S/C17H19NO/c1-11-5-12(2)7-14(6-11)15-8-13-3-4-19-17(13)16(9-15)10-18/h5-9H,3-4,10,18H2,1-2H3
InChIKeyMQHFNQBGLWLBLJ-UHFFFAOYSA-N
XLogP3.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(3,5-dimethylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine?
The IUPAC name of [5-(3,5-dimethylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine (CID 104703299) is [5-(3,5-dimethylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine.
What is the SMILES notation for [5-(3,5-dimethylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine?
The canonical SMILES for [5-(3,5-dimethylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine is Cc1cc(C)cc(-c2cc(CN)c3c(c2)CCO3)c1.
What is the InChIKey of [5-(3,5-dimethylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine?
The InChIKey is MQHFNQBGLWLBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-11-5-12(2)7-14(6-11)15-8-13-3-4-19-17(13)16(9-15)10-18/h5-9H,3-4,10,18H2,1-2H3.
What are the key properties of [5-(3,5-dimethylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine?
[5-(3,5-dimethylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine has a molecular weight of 253.34 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-dimethylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine is sourced from PubChem (CID 104703299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).