4-(3-ethyl-2,3-dihydro-1-benzofuran-6-yl)aniline

C16H17NO — CID 145343090

IUPAC4-(3-ethyl-2,3-dihydro-1-benzofuran-6-yl)aniline
SMILESCCC1COc2cc(-c3ccc(N)cc3)ccc21
InChIInChI=1S/C16H17NO/c1-2-11-10-18-16-9-13(5-8-15(11)16)12-3-6-14(17)7-4-12/h3-9,11H,2,10,17H2,1H3
InChIKeyCEIWPVSPAIVRMT-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.82
Rot. Bonds2

About 4-(3-ethyl-2,3-dihydro-1-benzofuran-6-yl)aniline

4-(3-ethyl-2,3-dihydro-1-benzofuran-6-yl)aniline (PubChem CID 145343090) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-(3-ethyl-2,3-dihydro-1-benzofuran-6-yl)aniline.

Molecular Properties

Compound Name4-(3-ethyl-2,3-dihydro-1-benzofuran-6-yl)aniline
PubChem CID145343090
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name4-(3-ethyl-2,3-dihydro-1-benzofuran-6-yl)aniline
SMILESCCC1COc2cc(-c3ccc(N)cc3)ccc21
InChIInChI=1S/C16H17NO/c1-2-11-10-18-16-9-13(5-8-15(11)16)12-3-6-14(17)7-4-12/h3-9,11H,2,10,17H2,1H3
InChIKeyCEIWPVSPAIVRMT-UHFFFAOYSA-N
XLogP3.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.82
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 4-(3-ethyl-2,3-dihydro-1-benzofuran-6-yl)aniline?
The IUPAC name of 4-(3-ethyl-2,3-dihydro-1-benzofuran-6-yl)aniline (CID 145343090) is 4-(3-ethyl-2,3-dihydro-1-benzofuran-6-yl)aniline.
What is the SMILES notation for 4-(3-ethyl-2,3-dihydro-1-benzofuran-6-yl)aniline?
The canonical SMILES for 4-(3-ethyl-2,3-dihydro-1-benzofuran-6-yl)aniline is CCC1COc2cc(-c3ccc(N)cc3)ccc21.
What is the InChIKey of 4-(3-ethyl-2,3-dihydro-1-benzofuran-6-yl)aniline?
The InChIKey is CEIWPVSPAIVRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-2-11-10-18-16-9-13(5-8-15(11)16)12-3-6-14(17)7-4-12/h3-9,11H,2,10,17H2,1H3.
What are the key properties of 4-(3-ethyl-2,3-dihydro-1-benzofuran-6-yl)aniline?
4-(3-ethyl-2,3-dihydro-1-benzofuran-6-yl)aniline has a molecular weight of 239.32 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-2,3-dihydro-1-benzofuran-6-yl)aniline is sourced from PubChem (CID 145343090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).