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

C14H20N2O3 — CID 62063554

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(CN)C2)c(OC)c1
InChIInChI=1S/C14H20N2O3/c1-18-11-3-4-12(13(7-11)19-2)14(17)16-6-5-10(8-15)9-16/h3-4,7,10H,5-6,8-9,15H2,1-2H3
InChIKeyXZZHZILWXIVEGQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.12
Rot. Bonds4

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

[3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone (PubChem CID 62063554) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
PubChem CID62063554
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(CN)C2)c(OC)c1
InChIInChI=1S/C14H20N2O3/c1-18-11-3-4-12(13(7-11)19-2)14(17)16-6-5-10(8-15)9-16/h3-4,7,10H,5-6,8-9,15H2,1-2H3
InChIKeyXZZHZILWXIVEGQ-UHFFFAOYSA-N
XLogP1.12
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-(2-hydroxy-4-methoxyphenyl)methanone
CID 62063385
[3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 113265524
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 114960668
[3-(aminomethyl)pyrrolidin-1-yl]-(2,4,5-trimethoxyphenyl)methanone;hydrochloride
CID 119485177
[3-(aminomethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone;hydrochloride
CID 119464934
(2,4-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43403188
[3-(aminomethyl)pyrrolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 62069454
[3-(aminomethyl)pyrrolidin-1-yl]-(2-methoxy-5-methylphenyl)methanone
CID 62504749
(2,4-dimethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119544370
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 115969440
(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 55183156
[3-(aminomethyl)pyrrolidin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone
CID 119483302

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone (CID 62063554) is [3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)N2CCC(CN)C2)c(OC)c1.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone?
The InChIKey is XZZHZILWXIVEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-11-3-4-12(13(7-11)19-2)14(17)16-6-5-10(8-15)9-16/h3-4,7,10H,5-6,8-9,15H2,1-2H3.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone?
[3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone has a molecular weight of 264.32 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 62063554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).