2-[2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol

C15H21NO3 — CID 43771437

IUPAC2-[2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol
SMILESCc1c(C(C)NCCOCCO)oc2ccccc12
InChIInChI=1S/C15H21NO3/c1-11-13-5-3-4-6-14(13)19-15(11)12(2)16-7-9-18-10-8-17/h3-6,12,16-17H,7-10H2,1-2H3
InChIKeyBDYIHYSUEXZVQI-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.40
Rot. Bonds7

About 2-[2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol

2-[2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol (PubChem CID 43771437) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol
PubChem CID43771437
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol
SMILESCc1c(C(C)NCCOCCO)oc2ccccc12
InChIInChI=1S/C15H21NO3/c1-11-13-5-3-4-6-14(13)19-15(11)12(2)16-7-9-18-10-8-17/h3-6,12,16-17H,7-10H2,1-2H3
InChIKeyBDYIHYSUEXZVQI-UHFFFAOYSA-N
XLogP2.40
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol
CID 43207567
N-(2-but-3-enoxyethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine
CID 103904996
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 43754997
2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]prop-2-en-1-amine
CID 104578826
(1S)-N-[2-(1,3-dioxolan-2-yl)ethyl]-1-(3-methyl-1-benzofuran-2-yl)ethanamine
CID 124571843
N-(2-methoxyethyl)-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide
CID 115707962
N-methyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethanesulfonamide
CID 102676059
N-(2-imidazol-1-ylethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine
CID 61325314
tert-butyl N-[3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propyl]carbamate
CID 113261110
2,2,2-trifluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]ethanamine
CID 43755050
4-methyl-3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pentan-1-ol
CID 103786449
(1S)-1-(3-methyl-1-benzofuran-2-yl)-N-(pyrimidin-5-ylmethyl)ethanamine
CID 99834293

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol (CID 43771437) is 2-[2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol is Cc1c(C(C)NCCOCCO)oc2ccccc12.
What is the InChIKey of 2-[2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol?
The InChIKey is BDYIHYSUEXZVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-13-5-3-4-6-14(13)19-15(11)12(2)16-7-9-18-10-8-17/h3-6,12,16-17H,7-10H2,1-2H3.
What are the key properties of 2-[2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol?
2-[2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol has a molecular weight of 263.34 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol is sourced from PubChem (CID 43771437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).