(3-aminopyrrolidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride

C13H19ClN2O3 — CID 119482519

IUPAC(3-aminopyrrolidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride
SMILESCOc1cc(OC)cc(C(=O)N2CCC(N)C2)c1.Cl
InChIInChI=1S/C13H18N2O3.ClH/c1-17-11-5-9(6-12(7-11)18-2)13(16)15-4-3-10(14)8-15;/h5-7,10H,3-4,8,14H2,1-2H3;1H
InChIKeyYHXQZDUQVMUTQI-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.30
Rot. Bonds3

About (3-aminopyrrolidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride

(3-aminopyrrolidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride (PubChem CID 119482519) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride
PubChem CID119482519
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name(3-aminopyrrolidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride
SMILESCOc1cc(OC)cc(C(=O)N2CCC(N)C2)c1.Cl
InChIInChI=1S/C13H18N2O3.ClH/c1-17-11-5-9(6-12(7-11)18-2)13(16)15-4-3-10(14)8-15;/h5-7,10H,3-4,8,14H2,1-2H3;1H
InChIKeyYHXQZDUQVMUTQI-UHFFFAOYSA-N
XLogP1.30
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminopiperidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 119377142
(3,5-dimethoxyphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413635
[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705169
[3-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 119592720
3-methoxy-5-[(3S)-3-(sulfamoylmethyl)pyrrolidine-1-carbonyl]benzoic acid
CID 126427180
[(3R)-3-aminopyrrolidin-1-yl]-(4-methoxy-3-methylphenyl)methanone
CID 129462233
(3S)-1-(3,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 858669
[(3R)-3-aminopyrrolidin-1-yl]-(2-bromo-5-methoxyphenyl)methanone
CID 81468954
[(3R)-3-aminopyrrolidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 113282283
(3-aminopyrrolidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119483089
(3,5-dimethoxyphenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 51710349
[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone;hydrochloride
CID 119412235

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride?
The IUPAC name of (3-aminopyrrolidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride (CID 119482519) is (3-aminopyrrolidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride is COc1cc(OC)cc(C(=O)N2CCC(N)C2)c1.Cl.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride?
The InChIKey is YHXQZDUQVMUTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3.ClH/c1-17-11-5-9(6-12(7-11)18-2)13(16)15-4-3-10(14)8-15;/h5-7,10H,3-4,8,14H2,1-2H3;1H.
What are the key properties of (3-aminopyrrolidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride?
(3-aminopyrrolidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride has a molecular weight of 286.76 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride is sourced from PubChem (CID 119482519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).