N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(oxolan-2-yl)ethanamine

C17H25NO2 — CID 65156028

IUPACN-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(oxolan-2-yl)ethanamine
SMILESCCNC(CC1CCCO1)c1ccc2c(c1)CC(C)O2
InChIInChI=1S/C17H25NO2/c1-3-18-16(11-15-5-4-8-19-15)13-6-7-17-14(10-13)9-12(2)20-17/h6-7,10,12,15-16,18H,3-5,8-9,11H2,1-2H3
InChIKeyNBELIWFGGYMHEQ-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.23
Rot. Bonds5

About N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(oxolan-2-yl)ethanamine

N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(oxolan-2-yl)ethanamine (PubChem CID 65156028) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(oxolan-2-yl)ethanamine
PubChem CID65156028
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(oxolan-2-yl)ethanamine
SMILESCCNC(CC1CCCO1)c1ccc2c(c1)CC(C)O2
InChIInChI=1S/C17H25NO2/c1-3-18-16(11-15-5-4-8-19-15)13-6-7-17-14(10-13)9-12(2)20-17/h6-7,10,12,15-16,18H,3-5,8-9,11H2,1-2H3
InChIKeyNBELIWFGGYMHEQ-UHFFFAOYSA-N
XLogP3.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 55032271
1-(3,4-dimethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 62550458
3-cyclopentyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 43493488
1-(4-tert-butylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 62550488
2-cycloheptyl-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 114457557
N,2-diethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine
CID 43493507
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 65156251
1-(4-cyclopropyloxyphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 114519253
N-methyl-1-naphthalen-2-yl-2-(oxolan-2-yl)ethanamine
CID 55104166
N-[(4-bromophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
CID 43493498
[1-(2,3-dihydro-1-benzofuran-5-yl)-2-(oxolan-2-yl)ethyl]hydrazine
CID 105198767
N-ethyl-2-(oxan-2-yl)-1-(3-propylphenyl)ethanamine
CID 116545086

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(oxolan-2-yl)ethanamine?
The IUPAC name of N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(oxolan-2-yl)ethanamine (CID 65156028) is N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(oxolan-2-yl)ethanamine is CCNC(CC1CCCO1)c1ccc2c(c1)CC(C)O2.
What is the InChIKey of N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(oxolan-2-yl)ethanamine?
The InChIKey is NBELIWFGGYMHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-18-16(11-15-5-4-8-19-15)13-6-7-17-14(10-13)9-12(2)20-17/h6-7,10,12,15-16,18H,3-5,8-9,11H2,1-2H3.
What are the key properties of N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(oxolan-2-yl)ethanamine?
N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(oxolan-2-yl)ethanamine has a molecular weight of 275.39 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 65156028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).