1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)propan-1-one

C15H22N2O2 — CID 119484020

IUPAC1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)propan-1-one
SMILESCOc1cccc(C(C)C(=O)N2CCC(CN)C2)c1
InChIInChI=1S/C15H22N2O2/c1-11(13-4-3-5-14(8-13)19-2)15(18)17-7-6-12(9-16)10-17/h3-5,8,11-12H,6-7,9-10,16H2,1-2H3
InChIKeyQDKVHPHMHAKAGI-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.61
Rot. Bonds4

About 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)propan-1-one

1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)propan-1-one (PubChem CID 119484020) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)propan-1-one
PubChem CID119484020
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)propan-1-one
SMILESCOc1cccc(C(C)C(=O)N2CCC(CN)C2)c1
InChIInChI=1S/C15H22N2O2/c1-11(13-4-3-5-14(8-13)19-2)15(18)17-7-6-12(9-16)10-17/h3-5,8,11-12H,6-7,9-10,16H2,1-2H3
InChIKeyQDKVHPHMHAKAGI-UHFFFAOYSA-N
XLogP1.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-1-[2-(3-methoxyphenyl)propanoyl]piperidine-3-carboxamide
CID 119479891
2-(3-methoxyphenyl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119560528
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 119410402
2-(3-methoxyphenyl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 138015038
2-(3-aminophenyl)-1-(3-propylpyrrolidin-1-yl)propan-1-one
CID 106591777
[3-(aminomethyl)pyrrolidin-1-yl]-(3-propan-2-yloxyphenyl)methanone
CID 62918972
1-(3-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
CID 119378452
[3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 62063554
[3-(aminomethyl)pyrrolidin-1-yl]-(2-hydroxy-4-methoxyphenyl)methanone
CID 62063385
1-(4-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
CID 119373948
2-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-(3-methoxyphenyl)ethanol
CID 81134628
2-(3-fluorophenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119538803

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)propan-1-one?
The IUPAC name of 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)propan-1-one (CID 119484020) is 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)propan-1-one is COc1cccc(C(C)C(=O)N2CCC(CN)C2)c1.
What is the InChIKey of 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)propan-1-one?
The InChIKey is QDKVHPHMHAKAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(13-4-3-5-14(8-13)19-2)15(18)17-7-6-12(9-16)10-17/h3-5,8,11-12H,6-7,9-10,16H2,1-2H3.
What are the key properties of 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)propan-1-one?
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)propan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)propan-1-one is sourced from PubChem (CID 119484020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).