1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylpropan-1-amine

C18H28N2O — CID 104542664

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
SMILESCCNC(c1ccc2c(c1)CCO2)C(C)(C)N1CCCC1
InChIInChI=1S/C18H28N2O/c1-4-19-17(18(2,3)20-10-5-6-11-20)15-7-8-16-14(13-15)9-12-21-16/h7-8,13,17,19H,4-6,9-12H2,1-3H3
InChIKeyCWHOMXGMVOLOQC-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.15
Rot. Bonds5

About 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylpropan-1-amine

1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylpropan-1-amine (PubChem CID 104542664) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
PubChem CID104542664
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
SMILESCCNC(c1ccc2c(c1)CCO2)C(C)(C)N1CCCC1
InChIInChI=1S/C18H28N2O/c1-4-19-17(18(2,3)20-10-5-6-11-20)15-7-8-16-14(13-15)9-12-21-16/h7-8,13,17,19H,4-6,9-12H2,1-3H3
InChIKeyCWHOMXGMVOLOQC-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylpropan-1-amine with MolForge

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 104542676
[1-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-2-morpholin-4-ylpropyl]hydrazine
CID 105240224
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
CID 116758114
N-ethyl-2-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79056899
N-ethyl-2-methyl-1-(4-methylphenyl)-2-piperidin-1-ylpropan-1-amine
CID 79045339
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylbutan-2-amine
CID 170188643
N-ethyl-2-methyl-1-(3-propylphenyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 116544657
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 43768025
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-pyrrolidin-1-ylpropan-2-yl)propan-1-amine
CID 61475275
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 104542703
N-[2,3-dihydro-1-benzofuran-5-yl(phenyl)methyl]ethanamine
CID 43489842
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-4-methylpentan-1-amine
CID 43489857

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylpropan-1-amine (CID 104542664) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylpropan-1-amine is CCNC(c1ccc2c(c1)CCO2)C(C)(C)N1CCCC1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is CWHOMXGMVOLOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-19-17(18(2,3)20-10-5-6-11-20)15-7-8-16-14(13-15)9-12-21-16/h7-8,13,17,19H,4-6,9-12H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylpropan-1-amine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 288.44 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 104542664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).