2-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]aniline

C18H21NO2 — CID 102902368

IUPAC2-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]aniline
SMILESCc1ccc2c(c1)CC(COCCc1ccccc1N)O2
InChIInChI=1S/C18H21NO2/c1-13-6-7-18-15(10-13)11-16(21-18)12-20-9-8-14-4-2-3-5-17(14)19/h2-7,10,16H,8-9,11-12,19H2,1H3
InChIKeyYTFIUNIWJCOFJA-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.14
Rot. Bonds5

About 2-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]aniline

2-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]aniline (PubChem CID 102902368) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]aniline.

Molecular Properties

Compound Name2-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]aniline
PubChem CID102902368
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]aniline
SMILESCc1ccc2c(c1)CC(COCCc1ccccc1N)O2
InChIInChI=1S/C18H21NO2/c1-13-6-7-18-15(10-13)11-16(21-18)12-20-9-8-14-4-2-3-5-17(14)19/h2-7,10,16H,8-9,11-12,19H2,1H3
InChIKeyYTFIUNIWJCOFJA-UHFFFAOYSA-N
XLogP3.14
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]aniline?
The IUPAC name of 2-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]aniline (CID 102902368) is 2-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]aniline.
What is the SMILES notation for 2-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]aniline?
The canonical SMILES for 2-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]aniline is Cc1ccc2c(c1)CC(COCCc1ccccc1N)O2.
What is the InChIKey of 2-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]aniline?
The InChIKey is YTFIUNIWJCOFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-6-7-18-15(10-13)11-16(21-18)12-20-9-8-14-4-2-3-5-17(14)19/h2-7,10,16H,8-9,11-12,19H2,1H3.
What are the key properties of 2-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]aniline?
2-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]aniline has a molecular weight of 283.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]aniline is sourced from PubChem (CID 102902368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).