2-(2,5-dihydrofuran-3-yl)-6-methylaniline

C11H13NO — CID 171488344

IUPAC2-(2,5-dihydrofuran-3-yl)-6-methylaniline
SMILESCc1cccc(C2=CCOC2)c1N
InChIInChI=1S/C11H13NO/c1-8-3-2-4-10(11(8)12)9-5-6-13-7-9/h2-5H,6-7,12H2,1H3
InChIKeyYXNPDXJTHVFLSH-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.99
Rot. Bonds1

About 2-(2,5-dihydrofuran-3-yl)-6-methylaniline

2-(2,5-dihydrofuran-3-yl)-6-methylaniline (PubChem CID 171488344) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(2,5-dihydrofuran-3-yl)-6-methylaniline.

Molecular Properties

Compound Name2-(2,5-dihydrofuran-3-yl)-6-methylaniline
PubChem CID171488344
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-(2,5-dihydrofuran-3-yl)-6-methylaniline
SMILESCc1cccc(C2=CCOC2)c1N
InChIInChI=1S/C11H13NO/c1-8-3-2-4-10(11(8)12)9-5-6-13-7-9/h2-5H,6-7,12H2,1H3
InChIKeyYXNPDXJTHVFLSH-UHFFFAOYSA-N
XLogP1.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.99
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 2-(2,5-dihydrofuran-3-yl)-6-methylaniline?
The IUPAC name of 2-(2,5-dihydrofuran-3-yl)-6-methylaniline (CID 171488344) is 2-(2,5-dihydrofuran-3-yl)-6-methylaniline.
What is the SMILES notation for 2-(2,5-dihydrofuran-3-yl)-6-methylaniline?
The canonical SMILES for 2-(2,5-dihydrofuran-3-yl)-6-methylaniline is Cc1cccc(C2=CCOC2)c1N.
What is the InChIKey of 2-(2,5-dihydrofuran-3-yl)-6-methylaniline?
The InChIKey is YXNPDXJTHVFLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8-3-2-4-10(11(8)12)9-5-6-13-7-9/h2-5H,6-7,12H2,1H3.
What are the key properties of 2-(2,5-dihydrofuran-3-yl)-6-methylaniline?
2-(2,5-dihydrofuran-3-yl)-6-methylaniline has a molecular weight of 175.23 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydrofuran-3-yl)-6-methylaniline is sourced from PubChem (CID 171488344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).