1-(2-ethyl-1-benzofuran-3-yl)-N-methyl-2-(oxolan-2-yl)ethanamine

C17H23NO2 — CID 65156552

IUPAC1-(2-ethyl-1-benzofuran-3-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
SMILESCCc1oc2ccccc2c1C(CC1CCCO1)NC
InChIInChI=1S/C17H23NO2/c1-3-15-17(13-8-4-5-9-16(13)20-15)14(18-2)11-12-7-6-10-19-12/h4-5,8-9,12,14,18H,3,6-7,10-11H2,1-2H3
InChIKeyKBAPFLMSFYMREH-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.82
Rot. Bonds5

About 1-(2-ethyl-1-benzofuran-3-yl)-N-methyl-2-(oxolan-2-yl)ethanamine

1-(2-ethyl-1-benzofuran-3-yl)-N-methyl-2-(oxolan-2-yl)ethanamine (PubChem CID 65156552) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(2-ethyl-1-benzofuran-3-yl)-N-methyl-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2-ethyl-1-benzofuran-3-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
PubChem CID65156552
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-(2-ethyl-1-benzofuran-3-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
SMILESCCc1oc2ccccc2c1C(CC1CCCO1)NC
InChIInChI=1S/C17H23NO2/c1-3-15-17(13-8-4-5-9-16(13)20-15)14(18-2)11-12-7-6-10-19-12/h4-5,8-9,12,14,18H,3,6-7,10-11H2,1-2H3
InChIKeyKBAPFLMSFYMREH-UHFFFAOYSA-N
XLogP3.82
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 55180087
N-[(2-ethyl-1-benzofuran-3-yl)-(oxolan-2-yl)methyl]ethanamine
CID 62955578
N-methyl-1-naphthalen-2-yl-2-(oxolan-2-yl)ethanamine
CID 55104166
N-methyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 62800663
1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 8563848
N-[1,4-dioxan-2-yl-(2-ethyl-1-benzofuran-3-yl)methyl]ethanamine
CID 62957513
2-ethyl-N-(oxolan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
CID 6602804
N-ethyl-1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine
CID 55195132
N-methyl-1-(2-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine
CID 102831896
N-methyl-1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanamine
CID 66272484
[1-(1-benzofuran-2-yl)-2-(oxolan-2-yl)ethyl]hydrazine
CID 105198804
2-ethyl-N-(oxolan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 664426

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1-benzofuran-3-yl)-N-methyl-2-(oxolan-2-yl)ethanamine?
The IUPAC name of 1-(2-ethyl-1-benzofuran-3-yl)-N-methyl-2-(oxolan-2-yl)ethanamine (CID 65156552) is 1-(2-ethyl-1-benzofuran-3-yl)-N-methyl-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 1-(2-ethyl-1-benzofuran-3-yl)-N-methyl-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for 1-(2-ethyl-1-benzofuran-3-yl)-N-methyl-2-(oxolan-2-yl)ethanamine is CCc1oc2ccccc2c1C(CC1CCCO1)NC.
What is the InChIKey of 1-(2-ethyl-1-benzofuran-3-yl)-N-methyl-2-(oxolan-2-yl)ethanamine?
The InChIKey is KBAPFLMSFYMREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-15-17(13-8-4-5-9-16(13)20-15)14(18-2)11-12-7-6-10-19-12/h4-5,8-9,12,14,18H,3,6-7,10-11H2,1-2H3.
What are the key properties of 1-(2-ethyl-1-benzofuran-3-yl)-N-methyl-2-(oxolan-2-yl)ethanamine?
1-(2-ethyl-1-benzofuran-3-yl)-N-methyl-2-(oxolan-2-yl)ethanamine has a molecular weight of 273.38 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1-benzofuran-3-yl)-N-methyl-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 65156552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).