2-[cyclobutyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]ethanol

C15H21NO2 — CID 102676518

IUPAC2-[cyclobutyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]ethanol
SMILESOCCN(CC1Cc2ccccc2O1)C1CCC1
InChIInChI=1S/C15H21NO2/c17-9-8-16(13-5-3-6-13)11-14-10-12-4-1-2-7-15(12)18-14/h1-2,4,7,13-14,17H,3,5-6,8-11H2
InChIKeyFJDBGHZWNGCNHN-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.84
Rot. Bonds5

About 2-[cyclobutyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]ethanol

2-[cyclobutyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]ethanol (PubChem CID 102676518) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[cyclobutyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]ethanol
PubChem CID102676518
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[cyclobutyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]ethanol
SMILESOCCN(CC1Cc2ccccc2O1)C1CCC1
InChIInChI=1S/C15H21NO2/c17-9-8-16(13-5-3-6-13)11-14-10-12-4-1-2-7-15(12)18-14/h1-2,4,7,13-14,17H,3,5-6,8-11H2
InChIKeyFJDBGHZWNGCNHN-UHFFFAOYSA-N
XLogP1.84
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclobutyl-N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,3-diamine
CID 102875058
2-[cyclobutyl-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]ethanol
CID 102870121
4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-N-propylcyclohexane-1,4-diamine
CID 79117519
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylazetidin-3-amine
CID 66363424
2-[2,3-dihydro-1-benzofuran-2-ylmethyl(prop-2-enyl)amino]ethanol
CID 115698014
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylpyrrolidin-3-amine
CID 66364981
N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 102684830
ethyl 2-[cyclopropyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]acetate
CID 63663084
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
2-chloro-N-cyclopropyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide
CID 146085900
2-[(2S)-3,4-dihydro-2H-chromen-2-yl]ethanol
CID 54393265
2,3-dihydro-1-benzofuran-2-ylmethyl(trimethyl)azanium
CID 3112651

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[cyclobutyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]ethanol (CID 102676518) is 2-[cyclobutyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[cyclobutyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]ethanol is OCCN(CC1Cc2ccccc2O1)C1CCC1.
What is the InChIKey of 2-[cyclobutyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]ethanol?
The InChIKey is FJDBGHZWNGCNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c17-9-8-16(13-5-3-6-13)11-14-10-12-4-1-2-7-15(12)18-14/h1-2,4,7,13-14,17H,3,5-6,8-11H2.
What are the key properties of 2-[cyclobutyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]ethanol?
2-[cyclobutyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]ethanol has a molecular weight of 247.34 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 102676518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).