N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-1-methylpyrrolidin-3-amine

C17H24N2O — CID 61462424

IUPACN-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-1-methylpyrrolidin-3-amine
SMILESCCc1c(C(C)NC2CCN(C)C2)oc2ccccc12
InChIInChI=1S/C17H24N2O/c1-4-14-15-7-5-6-8-16(15)20-17(14)12(2)18-13-9-10-19(3)11-13/h5-8,12-13,18H,4,9-11H2,1-3H3
InChIKeyUPHKQIMSLFUTDC-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.35
Rot. Bonds4

About N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-1-methylpyrrolidin-3-amine

N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-1-methylpyrrolidin-3-amine (PubChem CID 61462424) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-1-methylpyrrolidin-3-amine
PubChem CID61462424
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-1-methylpyrrolidin-3-amine
SMILESCCc1c(C(C)NC2CCN(C)C2)oc2ccccc12
InChIInChI=1S/C17H24N2O/c1-4-14-15-7-5-6-8-16(15)20-17(14)12(2)18-13-9-10-19(3)11-13/h5-8,12-13,18H,4,9-11H2,1-3H3
InChIKeyUPHKQIMSLFUTDC-UHFFFAOYSA-N
XLogP3.35
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]cyclobutanamine
CID 55067360
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 114544145
1-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylpiperidin-3-amine
CID 62536168
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80715279
(3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine
CID 134939795
N-[1-(4-ethylphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949870
1-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine
CID 61461637
3-[[(1-methylpyrrolidin-3-yl)amino]methyl]-1-benzofuran-2-carboxylic acid
CID 103245535
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine
CID 43099760
1-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,5-dimethylpiperazine
CID 63862790
1-(3-ethyl-1-benzofuran-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63001771
N-[(1R)-1-(2-bromophenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 81379065

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-1-methylpyrrolidin-3-amine?
The IUPAC name of N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-1-methylpyrrolidin-3-amine (CID 61462424) is N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-1-methylpyrrolidin-3-amine is CCc1c(C(C)NC2CCN(C)C2)oc2ccccc12.
What is the InChIKey of N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-1-methylpyrrolidin-3-amine?
The InChIKey is UPHKQIMSLFUTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-14-15-7-5-6-8-16(15)20-17(14)12(2)18-13-9-10-19(3)11-13/h5-8,12-13,18H,4,9-11H2,1-3H3.
What are the key properties of N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-1-methylpyrrolidin-3-amine?
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-1-methylpyrrolidin-3-amine has a molecular weight of 272.39 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 61462424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).