2-(3,4-dimethoxypyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine

C13H22N2O3 — CID 103531012

IUPAC2-(3,4-dimethoxypyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine
SMILESCOC1CN(C(CN)c2ccc(C)o2)CC1OC
InChIInChI=1S/C13H22N2O3/c1-9-4-5-11(18-9)10(6-14)15-7-12(16-2)13(8-15)17-3/h4-5,10,12-13H,6-8,14H2,1-3H3
InChIKeyHVLBUIVFECARAH-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.93
Rot. Bonds5

About 2-(3,4-dimethoxypyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine

2-(3,4-dimethoxypyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine (PubChem CID 103531012) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(3,4-dimethoxypyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethoxypyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine
PubChem CID103531012
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-(3,4-dimethoxypyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine
SMILESCOC1CN(C(CN)c2ccc(C)o2)CC1OC
InChIInChI=1S/C13H22N2O3/c1-9-4-5-11(18-9)10(6-14)15-7-12(16-2)13(8-15)17-3/h4-5,10,12-13H,6-8,14H2,1-3H3
InChIKeyHVLBUIVFECARAH-UHFFFAOYSA-N
XLogP0.93
TPSA60.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethylpyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine
CID 79181910
2-(3,4-dimethoxypyrrolidin-1-yl)-2-[5-(2-methylcyclopropyl)furan-2-yl]ethanamine
CID 103531861
1-[2-amino-1-(5-methylfuran-2-yl)ethyl]pyrrolidin-3-ol
CID 62943169
1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-3-methylpiperidin-4-ol
CID 114678005
2-(5-methylfuran-2-yl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanamine
CID 102742936
2-(5-methylfuran-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 55160318
2-(5-ethylfuran-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102965022
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(5-methylfuran-2-yl)ethanamine
CID 61440535
2-[1-[2-amino-1-(5-methylfuran-2-yl)ethyl]piperidin-4-yl]oxyethanol
CID 82696659
1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-4-methylpiperidin-4-ol
CID 81097156
2-(3,4-difluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
CID 103531860
2-(2,4-difluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
CID 103531886

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine?
The IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine (CID 103531012) is 2-(3,4-dimethoxypyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethoxypyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine?
The canonical SMILES for 2-(3,4-dimethoxypyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine is COC1CN(C(CN)c2ccc(C)o2)CC1OC.
What is the InChIKey of 2-(3,4-dimethoxypyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine?
The InChIKey is HVLBUIVFECARAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9-4-5-11(18-9)10(6-14)15-7-12(16-2)13(8-15)17-3/h4-5,10,12-13H,6-8,14H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxypyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine?
2-(3,4-dimethoxypyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine has a molecular weight of 254.33 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxypyrrolidin-1-yl)-2-(5-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 103531012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).