1-[(2,3-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine

C14H22N2O2 — CID 113281872

IUPAC1-[(2,3-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(Cc2cccc(OC)c2OC)C1
InChIInChI=1S/C14H22N2O2/c1-15-12-7-8-16(10-12)9-11-5-4-6-13(17-2)14(11)18-3/h4-6,12,15H,7-10H2,1-3H3
InChIKeyCUGUVFMCUMEHBE-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.50
Rot. Bonds5

About 1-[(2,3-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine

1-[(2,3-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine (PubChem CID 113281872) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[(2,3-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(2,3-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
PubChem CID113281872
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[(2,3-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(Cc2cccc(OC)c2OC)C1
InChIInChI=1S/C14H22N2O2/c1-15-12-7-8-16(10-12)9-11-5-4-6-13(17-2)14(11)18-3/h4-6,12,15H,7-10H2,1-3H3
InChIKeyCUGUVFMCUMEHBE-UHFFFAOYSA-N
XLogP1.50
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 62369278
N-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
CID 172891872
N-[(2,3-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine
CID 28718160
[3-[[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
CID 72843261
1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 23884997
N-methyl-1-(naphthalen-1-ylmethyl)piperidin-3-amine
CID 62536724
N-[(2,3-dimethoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 47052476
N-[(2-methoxyphenyl)methyl]-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905867
1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 61029194
1-[(2-chloro-3-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 112652863
N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 17295654
2-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]ethanol
CID 2223715

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine (CID 113281872) is 1-[(2,3-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(2,3-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[(2,3-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine is CNC1CCN(Cc2cccc(OC)c2OC)C1.
What is the InChIKey of 1-[(2,3-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine?
The InChIKey is CUGUVFMCUMEHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-15-12-7-8-16(10-12)9-11-5-4-6-13(17-2)14(11)18-3/h4-6,12,15H,7-10H2,1-3H3.
What are the key properties of 1-[(2,3-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine?
1-[(2,3-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine has a molecular weight of 250.34 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 113281872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).