(2,5-dimethylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

C14H19NO2 — CID 62370766

IUPAC(2,5-dimethylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(C)c(C(=O)N2CCC(CO)C2)c1
InChIInChI=1S/C14H19NO2/c1-10-3-4-11(2)13(7-10)14(17)15-6-5-12(8-15)9-16/h3-4,7,12,16H,5-6,8-9H2,1-2H3
InChIKeyLBDWDBRUOXQZJX-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.76
Rot. Bonds2

About (2,5-dimethylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

(2,5-dimethylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 62370766) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID62370766
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(2,5-dimethylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(C)c(C(=O)N2CCC(CO)C2)c1
InChIInChI=1S/C14H19NO2/c1-10-3-4-11(2)13(7-10)14(17)15-6-5-12(8-15)9-16/h3-4,7,12,16H,5-6,8-9H2,1-2H3
InChIKeyLBDWDBRUOXQZJX-UHFFFAOYSA-N
XLogP1.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-amino-5-methylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112623690
(2,5-dimethylphenyl)-[(3S)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 97207529
(2,5-dimethylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291160
(2,5-dimethylphenyl)-[(3S)-3-methoxypyrrolidin-1-yl]methanone
CID 166697905
1-(2,5-dimethylphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 112626432
(2-fluoro-5-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62509275
(5-bromo-2-methylphenyl)-[3-(bromomethyl)pyrrolidin-1-yl]methanone
CID 80668298
(4-chloro-3-methylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone
CID 114683079
[3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 55030892
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 114960355
(5-amino-2-methylphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 113416759
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 62348870

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,5-dimethylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 62370766) is (2,5-dimethylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is Cc1ccc(C)c(C(=O)N2CCC(CO)C2)c1.
What is the InChIKey of (2,5-dimethylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is LBDWDBRUOXQZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-3-4-11(2)13(7-10)14(17)15-6-5-12(8-15)9-16/h3-4,7,12,16H,5-6,8-9H2,1-2H3.
What are the key properties of (2,5-dimethylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(2,5-dimethylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 233.31 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 62370766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).