1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-3,4-diol

C12H18N2O2 — CID 107926386

IUPAC1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-3,4-diol
SMILESCc1ccc(N2CC(O)C(O)C2)c(CN)c1
InChIInChI=1S/C12H18N2O2/c1-8-2-3-10(9(4-8)5-13)14-6-11(15)12(16)7-14/h2-4,11-12,15-16H,5-7,13H2,1H3
InChIKeyOQYHDUFYCYJPJG-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.00
Rot. Bonds2

About 1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-3,4-diol

1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-3,4-diol (PubChem CID 107926386) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-3,4-diol
PubChem CID107926386
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-3,4-diol
SMILESCc1ccc(N2CC(O)C(O)C2)c(CN)c1
InChIInChI=1S/C12H18N2O2/c1-8-2-3-10(9(4-8)5-13)14-6-11(15)12(16)7-14/h2-4,11-12,15-16H,5-7,13H2,1H3
InChIKeyOQYHDUFYCYJPJG-UHFFFAOYSA-N
XLogP-0.00
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-dimethoxypyrrolidin-1-yl)-5-methylphenyl]methanamine
CID 114016674
[2-(azetidin-1-yl)-5-methylphenyl]methanamine
CID 126980462
8-[2-(aminomethyl)-4-methylphenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 114016658
[2-(4-tert-butylpiperidin-1-yl)-5-methylphenyl]methanamine
CID 107926168
[5-methyl-2-(4-propylpiperidin-1-yl)phenyl]methanamine
CID 107926173
2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 114017234
2-(3,4-dihydroxypyrrolidin-1-yl)-5-methylbenzenecarboximidamide
CID 107930636
1-[4-(aminomethyl)-2-methylphenyl]azetidin-3-ol
CID 130921105
1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-2-carboxamide
CID 114016618
[2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanamine
CID 107926317
[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylphenyl]methanamine
CID 114016660
1-[2-(ethylaminomethyl)-4-methylphenyl]pyrrolidin-3-ol
CID 114055065

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-3,4-diol (CID 107926386) is 1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-3,4-diol is Cc1ccc(N2CC(O)C(O)C2)c(CN)c1.
What is the InChIKey of 1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-3,4-diol?
The InChIKey is OQYHDUFYCYJPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-2-3-10(9(4-8)5-13)14-6-11(15)12(16)7-14/h2-4,11-12,15-16H,5-7,13H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-3,4-diol?
1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-3,4-diol has a molecular weight of 222.29 g/mol, XLogP of -0.00, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 107926386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).