(3,5-dimethoxyphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride

C14H21ClN2O3 — CID 119413635

IUPAC(3,5-dimethoxyphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2cc(OC)cc(OC)c2)C1.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-15-11-4-5-16(9-11)14(17)10-6-12(18-2)8-13(7-10)19-3;/h6-8,11,15H,4-5,9H2,1-3H3;1H
InChIKeyCGNALAVTOZCUFY-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.56
Rot. Bonds4

About (3,5-dimethoxyphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride

(3,5-dimethoxyphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 119413635) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
PubChem CID119413635
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name(3,5-dimethoxyphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2cc(OC)cc(OC)c2)C1.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-15-11-4-5-16(9-11)14(17)10-6-12(18-2)8-13(7-10)19-3;/h6-8,11,15H,4-5,9H2,1-3H3;1H
InChIKeyCGNALAVTOZCUFY-UHFFFAOYSA-N
XLogP1.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(methylamino)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 81469626
(3-aminopyrrolidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 119482519
(3-aminopiperidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 119377142
2-chloro-N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]propanamide
CID 108564100
N-cyclopropyl-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 113002527
(3,5-dimethoxy-4-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119493630
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558147
[3-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 119592720
(4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413852
(5-iodothiophen-3-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413710
(3S)-1-(3,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 858669
(3,4-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413636

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of (3,5-dimethoxyphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride (CID 119413635) is (3,5-dimethoxyphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3,5-dimethoxyphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3,5-dimethoxyphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride is CNC1CCN(C(=O)c2cc(OC)cc(OC)c2)C1.Cl.
What is the InChIKey of (3,5-dimethoxyphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is CGNALAVTOZCUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3.ClH/c1-15-11-4-5-16(9-11)14(17)10-6-12(18-2)8-13(7-10)19-3;/h6-8,11,15H,4-5,9H2,1-3H3;1H.
What are the key properties of (3,5-dimethoxyphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride?
(3,5-dimethoxyphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119413635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).