1-(1-benzofuran-2-yl)-2-(3,4-dimethylpyrrolidin-1-yl)-N-ethylethanamine

C18H26N2O — CID 79177613

IUPAC1-(1-benzofuran-2-yl)-2-(3,4-dimethylpyrrolidin-1-yl)-N-ethylethanamine
SMILESCCNC(CN1CC(C)C(C)C1)c1cc2ccccc2o1
InChIInChI=1S/C18H26N2O/c1-4-19-16(12-20-10-13(2)14(3)11-20)18-9-15-7-5-6-8-17(15)21-18/h5-9,13-14,16,19H,4,10-12H2,1-3H3
InChIKeyCEJWPNDDFKMAIX-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.67
Rot. Bonds5

About 1-(1-benzofuran-2-yl)-2-(3,4-dimethylpyrrolidin-1-yl)-N-ethylethanamine

1-(1-benzofuran-2-yl)-2-(3,4-dimethylpyrrolidin-1-yl)-N-ethylethanamine (PubChem CID 79177613) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(3,4-dimethylpyrrolidin-1-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(3,4-dimethylpyrrolidin-1-yl)-N-ethylethanamine
PubChem CID79177613
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-(1-benzofuran-2-yl)-2-(3,4-dimethylpyrrolidin-1-yl)-N-ethylethanamine
SMILESCCNC(CN1CC(C)C(C)C1)c1cc2ccccc2o1
InChIInChI=1S/C18H26N2O/c1-4-19-16(12-20-10-13(2)14(3)11-20)18-9-15-7-5-6-8-17(15)21-18/h5-9,13-14,16,19H,4,10-12H2,1-3H3
InChIKeyCEJWPNDDFKMAIX-UHFFFAOYSA-N
XLogP3.67
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-3-cyclopentyl-N-ethylpropan-1-amine
CID 105044052
1-(1-benzofuran-2-yl)-N-ethylhexan-1-amine
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1-(1-benzofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 114728644
1-(1-benzofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 64632858
1-(1-benzofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 61064901
1-(1-benzofuran-2-yl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537689
1-(1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine
CID 113230976
1-(1-benzofuran-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
CID 105043949
1-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 66394022
N-[1-(1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61471730
N-[1-benzofuran-2-yl(cyclooctyl)methyl]ethanamine
CID 114730295
1-(1-benzofuran-2-yl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106927426

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(3,4-dimethylpyrrolidin-1-yl)-N-ethylethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(3,4-dimethylpyrrolidin-1-yl)-N-ethylethanamine (CID 79177613) is 1-(1-benzofuran-2-yl)-2-(3,4-dimethylpyrrolidin-1-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(3,4-dimethylpyrrolidin-1-yl)-N-ethylethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(3,4-dimethylpyrrolidin-1-yl)-N-ethylethanamine is CCNC(CN1CC(C)C(C)C1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(3,4-dimethylpyrrolidin-1-yl)-N-ethylethanamine?
The InChIKey is CEJWPNDDFKMAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-4-19-16(12-20-10-13(2)14(3)11-20)18-9-15-7-5-6-8-17(15)21-18/h5-9,13-14,16,19H,4,10-12H2,1-3H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(3,4-dimethylpyrrolidin-1-yl)-N-ethylethanamine?
1-(1-benzofuran-2-yl)-2-(3,4-dimethylpyrrolidin-1-yl)-N-ethylethanamine has a molecular weight of 286.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(3,4-dimethylpyrrolidin-1-yl)-N-ethylethanamine is sourced from PubChem (CID 79177613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).