[2-(3,4-dimethoxypyrrolidin-1-yl)-5-methylphenyl]methanamine

C14H22N2O2 — CID 114016674

IUPAC[2-(3,4-dimethoxypyrrolidin-1-yl)-5-methylphenyl]methanamine
SMILESCOC1CN(c2ccc(C)cc2CN)CC1OC
InChIInChI=1S/C14H22N2O2/c1-10-4-5-12(11(6-10)7-15)16-8-13(17-2)14(9-16)18-3/h4-6,13-14H,7-9,15H2,1-3H3
InChIKeyFGFOAVABLZLMSX-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.30
Rot. Bonds4

About [2-(3,4-dimethoxypyrrolidin-1-yl)-5-methylphenyl]methanamine

[2-(3,4-dimethoxypyrrolidin-1-yl)-5-methylphenyl]methanamine (PubChem CID 114016674) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is [2-(3,4-dimethoxypyrrolidin-1-yl)-5-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-(3,4-dimethoxypyrrolidin-1-yl)-5-methylphenyl]methanamine
PubChem CID114016674
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name[2-(3,4-dimethoxypyrrolidin-1-yl)-5-methylphenyl]methanamine
SMILESCOC1CN(c2ccc(C)cc2CN)CC1OC
InChIInChI=1S/C14H22N2O2/c1-10-4-5-12(11(6-10)7-15)16-8-13(17-2)14(9-16)18-3/h4-6,13-14H,7-9,15H2,1-3H3
InChIKeyFGFOAVABLZLMSX-UHFFFAOYSA-N
XLogP1.30
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-3,4-diol
CID 107926386
[2-(azetidin-1-yl)-5-methylphenyl]methanamine
CID 126980462
[2-(4-tert-butylpiperidin-1-yl)-5-methylphenyl]methanamine
CID 107926168
[5-methyl-2-(4-propylpiperidin-1-yl)phenyl]methanamine
CID 107926173
[2-(3-methoxypyrrolidin-1-yl)-4-methylphenyl]methanamine
CID 103530729
2-[4-(3,4-dimethoxypyrrolidin-1-yl)-3-fluorophenyl]ethanamine
CID 103540653
8-[2-(aminomethyl)-4-methylphenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 114016658
[5-(3,4-dimethoxypyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]methanamine
CID 103530766
[2-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methanamine
CID 103530760
1-[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-2-amine
CID 103540626
[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylphenyl]methanamine
CID 114016660
[2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanamine
CID 107926317

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxypyrrolidin-1-yl)-5-methylphenyl]methanamine?
The IUPAC name of [2-(3,4-dimethoxypyrrolidin-1-yl)-5-methylphenyl]methanamine (CID 114016674) is [2-(3,4-dimethoxypyrrolidin-1-yl)-5-methylphenyl]methanamine.
What is the SMILES notation for [2-(3,4-dimethoxypyrrolidin-1-yl)-5-methylphenyl]methanamine?
The canonical SMILES for [2-(3,4-dimethoxypyrrolidin-1-yl)-5-methylphenyl]methanamine is COC1CN(c2ccc(C)cc2CN)CC1OC.
What is the InChIKey of [2-(3,4-dimethoxypyrrolidin-1-yl)-5-methylphenyl]methanamine?
The InChIKey is FGFOAVABLZLMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-4-5-12(11(6-10)7-15)16-8-13(17-2)14(9-16)18-3/h4-6,13-14H,7-9,15H2,1-3H3.
What are the key properties of [2-(3,4-dimethoxypyrrolidin-1-yl)-5-methylphenyl]methanamine?
[2-(3,4-dimethoxypyrrolidin-1-yl)-5-methylphenyl]methanamine has a molecular weight of 250.34 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxypyrrolidin-1-yl)-5-methylphenyl]methanamine is sourced from PubChem (CID 114016674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).