1-[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine

C13H22N2O3 — CID 103540001

IUPAC1-[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine
SMILESCNCc1occc1CN1CC(OC)C(OC)C1
InChIInChI=1S/C13H22N2O3/c1-14-6-11-10(4-5-18-11)7-15-8-12(16-2)13(9-15)17-3/h4-5,12-14H,6-9H2,1-3H3
InChIKeyMBGKPLJXEQVCJT-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.84
Rot. Bonds6

About 1-[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine

1-[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine (PubChem CID 103540001) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine
PubChem CID103540001
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine
SMILESCNCc1occc1CN1CC(OC)C(OC)C1
InChIInChI=1S/C13H22N2O3/c1-14-6-11-10(4-5-18-11)7-15-8-12(16-2)13(9-15)17-3/h4-5,12-14H,6-9H2,1-3H3
InChIKeyMBGKPLJXEQVCJT-UHFFFAOYSA-N
XLogP0.84
TPSA46.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 103540003
1-[3-[(4-methoxypiperidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine
CID 62420012
1-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)furan-2-yl]-N-methylmethanamine
CID 115562260
1-[3-[(4-ethylpiperidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine
CID 62413262
N-[[2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 102968022
N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62423418
N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62423950
N-methyl-1-[3-[(2-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 62438856
1-[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)furan-2-yl]-N-methylmethanamine
CID 63193354
N-methyl-1-[3-[(3-methylmorpholin-4-yl)methyl]furan-2-yl]methanamine
CID 62422863
1-[3-[(2,3-dimethylpiperidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine
CID 62413521
N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 114540153

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine (CID 103540001) is 1-[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine is CNCc1occc1CN1CC(OC)C(OC)C1.
What is the InChIKey of 1-[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine?
The InChIKey is MBGKPLJXEQVCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-14-6-11-10(4-5-18-11)7-15-8-12(16-2)13(9-15)17-3/h4-5,12-14H,6-9H2,1-3H3.
What are the key properties of 1-[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine?
1-[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine has a molecular weight of 254.33 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 103540001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).