2-(3,4-dimethoxypyrrolidin-1-yl)-2-[5-(2-methylcyclopropyl)furan-2-yl]ethanamine

C16H26N2O3 — CID 103531861

IUPAC2-(3,4-dimethoxypyrrolidin-1-yl)-2-[5-(2-methylcyclopropyl)furan-2-yl]ethanamine
SMILESCOC1CN(C(CN)c2ccc(C3CC3C)o2)CC1OC
InChIInChI=1S/C16H26N2O3/c1-10-6-11(10)13-4-5-14(21-13)12(7-17)18-8-15(19-2)16(9-18)20-3/h4-5,10-12,15-16H,6-9,17H2,1-3H3
InChIKeyCHRFEZHIIOJIOJ-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.75
Rot. Bonds6

About 2-(3,4-dimethoxypyrrolidin-1-yl)-2-[5-(2-methylcyclopropyl)furan-2-yl]ethanamine

2-(3,4-dimethoxypyrrolidin-1-yl)-2-[5-(2-methylcyclopropyl)furan-2-yl]ethanamine (PubChem CID 103531861) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-(3,4-dimethoxypyrrolidin-1-yl)-2-[5-(2-methylcyclopropyl)furan-2-yl]ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethoxypyrrolidin-1-yl)-2-[5-(2-methylcyclopropyl)furan-2-yl]ethanamine
PubChem CID103531861
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-(3,4-dimethoxypyrrolidin-1-yl)-2-[5-(2-methylcyclopropyl)furan-2-yl]ethanamine
SMILESCOC1CN(C(CN)c2ccc(C3CC3C)o2)CC1OC
InChIInChI=1S/C16H26N2O3/c1-10-6-11(10)13-4-5-14(21-13)12(7-17)18-8-15(19-2)16(9-18)20-3/h4-5,10-12,15-16H,6-9,17H2,1-3H3
InChIKeyCHRFEZHIIOJIOJ-UHFFFAOYSA-N
XLogP1.75
TPSA60.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)-2-[5-(2-methylcyclopropyl)furan-2-yl]ethanamine?
The IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)-2-[5-(2-methylcyclopropyl)furan-2-yl]ethanamine (CID 103531861) is 2-(3,4-dimethoxypyrrolidin-1-yl)-2-[5-(2-methylcyclopropyl)furan-2-yl]ethanamine.
What is the SMILES notation for 2-(3,4-dimethoxypyrrolidin-1-yl)-2-[5-(2-methylcyclopropyl)furan-2-yl]ethanamine?
The canonical SMILES for 2-(3,4-dimethoxypyrrolidin-1-yl)-2-[5-(2-methylcyclopropyl)furan-2-yl]ethanamine is COC1CN(C(CN)c2ccc(C3CC3C)o2)CC1OC.
What is the InChIKey of 2-(3,4-dimethoxypyrrolidin-1-yl)-2-[5-(2-methylcyclopropyl)furan-2-yl]ethanamine?
The InChIKey is CHRFEZHIIOJIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-10-6-11(10)13-4-5-14(21-13)12(7-17)18-8-15(19-2)16(9-18)20-3/h4-5,10-12,15-16H,6-9,17H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxypyrrolidin-1-yl)-2-[5-(2-methylcyclopropyl)furan-2-yl]ethanamine?
2-(3,4-dimethoxypyrrolidin-1-yl)-2-[5-(2-methylcyclopropyl)furan-2-yl]ethanamine has a molecular weight of 294.40 g/mol, XLogP of 1.75, 6 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-(2-methylcyclopropyl)furan-2-yl]ethanamine is sourced from PubChem (CID 103531861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).