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

C15H22N2O3 — CID 115491792

IUPAC[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dimethoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CC(CN)CC2C)c1OC
InChIInChI=1S/C15H22N2O3/c1-10-7-11(8-16)9-17(10)15(18)12-5-4-6-13(19-2)14(12)20-3/h4-6,10-11H,7-9,16H2,1-3H3
InChIKeyWZBYWXUWHNSQKR-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.51
Rot. Bonds4

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

[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dimethoxyphenyl)methanone (PubChem CID 115491792) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dimethoxyphenyl)methanone
PubChem CID115491792
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dimethoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CC(CN)CC2C)c1OC
InChIInChI=1S/C15H22N2O3/c1-10-7-11(8-16)9-17(10)15(18)12-5-4-6-13(19-2)14(12)20-3/h4-6,10-11H,7-9,16H2,1-3H3
InChIKeyWZBYWXUWHNSQKR-UHFFFAOYSA-N
XLogP1.51
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dichlorophenyl)methanone
CID 115491945
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone
CID 104615552
[2-(aminomethyl)piperidin-1-yl]-(2,3-dimethoxyphenyl)methanone;hydrochloride
CID 119469424
(2,3-dimethoxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672070
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-bromo-4-fluorophenyl)methanone
CID 113322442
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone
CID 113322421
[3-(aminomethyl)pyrrolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 62069454
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
CID 113322480
(2,3-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 55452857
[3-(2-aminoethyl)piperidin-1-yl]-(2,3-dimethoxyphenyl)methanone;hydrochloride
CID 120727463
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 103840438
[3-(chloromethyl)pyrrolidin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 63396306

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dimethoxyphenyl)methanone?
The IUPAC name of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dimethoxyphenyl)methanone (CID 115491792) is [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dimethoxyphenyl)methanone.
What is the SMILES notation for [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dimethoxyphenyl)methanone?
The canonical SMILES for [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dimethoxyphenyl)methanone is COc1cccc(C(=O)N2CC(CN)CC2C)c1OC.
What is the InChIKey of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dimethoxyphenyl)methanone?
The InChIKey is WZBYWXUWHNSQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-7-11(8-16)9-17(10)15(18)12-5-4-6-13(19-2)14(12)20-3/h4-6,10-11H,7-9,16H2,1-3H3.
What are the key properties of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dimethoxyphenyl)methanone?
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dimethoxyphenyl)methanone has a molecular weight of 278.35 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dimethoxyphenyl)methanone is sourced from PubChem (CID 115491792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).