[3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethylphenyl)methanone

C14H20N2O — CID 55030892

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(CN)C2)c(C)c1
InChIInChI=1S/C14H20N2O/c1-10-3-4-13(11(2)7-10)14(17)16-6-5-12(8-15)9-16/h3-4,7,12H,5-6,8-9,15H2,1-2H3
InChIKeyZJFPPMMQDRGIKQ-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.72
Rot. Bonds2

About [3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethylphenyl)methanone

[3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethylphenyl)methanone (PubChem CID 55030892) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethylphenyl)methanone
PubChem CID55030892
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(CN)C2)c(C)c1
InChIInChI=1S/C14H20N2O/c1-10-3-4-13(11(2)7-10)14(17)16-6-5-12(8-15)9-16/h3-4,7,12H,5-6,8-9,15H2,1-2H3
InChIKeyZJFPPMMQDRGIKQ-UHFFFAOYSA-N
XLogP1.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-(2-methoxy-5-methylphenyl)methanone
CID 62504749
(2,4-dimethylphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119540525
(2,4-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62373006
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one
CID 124611243
(2,5-dimethylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370766
[3-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 112701263
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2,4-dimethylphenoxy)ethanone
CID 124611774
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,4-dimethylphenyl)methanone
CID 81483355
N-(2-aminoethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide
CID 119480898
1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]ethanone
CID 119483313
(2-amino-5-methylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112623690
[3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 62063554

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethylphenyl)methanone?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethylphenyl)methanone (CID 55030892) is [3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethylphenyl)methanone.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethylphenyl)methanone?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethylphenyl)methanone is Cc1ccc(C(=O)N2CCC(CN)C2)c(C)c1.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethylphenyl)methanone?
The InChIKey is ZJFPPMMQDRGIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-3-4-13(11(2)7-10)14(17)16-6-5-12(8-15)9-16/h3-4,7,12H,5-6,8-9,15H2,1-2H3.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethylphenyl)methanone?
[3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethylphenyl)methanone has a molecular weight of 232.33 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethylphenyl)methanone is sourced from PubChem (CID 55030892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).