4-(2,3-dihydro-1-benzofuran-5-yl)-2-ethylaniline

C16H17NO — CID 81287575

IUPAC4-(2,3-dihydro-1-benzofuran-5-yl)-2-ethylaniline
SMILESCCc1cc(-c2ccc3c(c2)CCO3)ccc1N
InChIInChI=1S/C16H17NO/c1-2-11-9-12(3-5-15(11)17)13-4-6-16-14(10-13)7-8-18-16/h3-6,9-10H,2,7-8,17H2,1H3
InChIKeyHMXFNUHUPOIPLR-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.43
Rot. Bonds2

About 4-(2,3-dihydro-1-benzofuran-5-yl)-2-ethylaniline

4-(2,3-dihydro-1-benzofuran-5-yl)-2-ethylaniline (PubChem CID 81287575) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-5-yl)-2-ethylaniline.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-5-yl)-2-ethylaniline
PubChem CID81287575
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name4-(2,3-dihydro-1-benzofuran-5-yl)-2-ethylaniline
SMILESCCc1cc(-c2ccc3c(c2)CCO3)ccc1N
InChIInChI=1S/C16H17NO/c1-2-11-9-12(3-5-15(11)17)13-4-6-16-14(10-13)7-8-18-16/h3-6,9-10H,2,7-8,17H2,1H3
InChIKeyHMXFNUHUPOIPLR-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethylaniline
CID 81289628
2-(2,3-dihydro-1-benzofuran-5-yl)-5-methylaniline
CID 82766457
2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethyl-5-iodopyrimidin-4-amine
CID 66295990
ethyl 2-amino-6-(2,3-dihydro-1-benzofuran-5-yl)benzoate
CID 83142809
[3-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methanamine
CID 54910506
5-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-amine
CID 66199605
4-(3,4-dimethylphenyl)-2-ethylaniline
CID 81287148
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
ethane;5-methyl-2,3-dihydro-1-benzofuran;propane
CID 145162253
(2S)-2-amino-3-[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]propanoic acid
CID 172529875
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethylpyrimidine
CID 43804064
2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 7130264

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-2-ethylaniline?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-2-ethylaniline (CID 81287575) is 4-(2,3-dihydro-1-benzofuran-5-yl)-2-ethylaniline.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-5-yl)-2-ethylaniline?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-5-yl)-2-ethylaniline is CCc1cc(-c2ccc3c(c2)CCO3)ccc1N.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-5-yl)-2-ethylaniline?
The InChIKey is HMXFNUHUPOIPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-2-11-9-12(3-5-15(11)17)13-4-6-16-14(10-13)7-8-18-16/h3-6,9-10H,2,7-8,17H2,1H3.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-5-yl)-2-ethylaniline?
4-(2,3-dihydro-1-benzofuran-5-yl)-2-ethylaniline has a molecular weight of 239.32 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-5-yl)-2-ethylaniline is sourced from PubChem (CID 81287575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).