[3-(methylaminomethyl)pyrrolidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride

C17H22ClF3N2O — CID 119542396

IUPAC[3-(methylaminomethyl)pyrrolidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
SMILESCNCC1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CC2)C1.Cl
InChIInChI=1S/C17H21F3N2O.ClH/c1-21-10-12-5-8-22(11-12)15(23)16(6-7-16)13-3-2-4-14(9-13)17(18,19)20;/h2-4,9,12,21H,5-8,10-11H2,1H3;1H
InChIKeyZLVCYHAIZGZKMM-UHFFFAOYSA-N
MW362.82 g/mol
LogP3.23
Rot. Bonds4

About [3-(methylaminomethyl)pyrrolidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride

[3-(methylaminomethyl)pyrrolidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride (PubChem CID 119542396) has the molecular formula C17H22ClF3N2O and a molecular weight of 362.82 g/mol. Its IUPAC name is [3-(methylaminomethyl)pyrrolidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride.

Molecular Properties

Compound Name[3-(methylaminomethyl)pyrrolidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
PubChem CID119542396
Molecular FormulaC17H22ClF3N2O
Molecular Weight362.82 g/mol
Exact Mass362.14
IUPAC Name[3-(methylaminomethyl)pyrrolidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
SMILESCNCC1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CC2)C1.Cl
InChIInChI=1S/C17H21F3N2O.ClH/c1-21-10-12-5-8-22(11-12)15(23)16(6-7-16)13-3-2-4-14(9-13)17(18,19)20;/h2-4,9,12,21H,5-8,10-11H2,1H3;1H
InChIKeyZLVCYHAIZGZKMM-UHFFFAOYSA-N
XLogP3.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-(methylaminomethyl)pyrrolidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride with MolForge

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Related Compounds

[1-(3-chlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538567
[3-(methylaminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 63264345
[3-(methylaminomethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone
CID 119541574
[4-(methylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone
CID 119561328
(3-hydroxypiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 110928443
[1-(3-fluorophenyl)cyclobutyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119542872
[4-(3-fluorophenyl)oxan-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119396200
[3-(1-aminoethyl)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 119596794
[1-(3-fluorophenyl)cyclobutyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119542873
[1-(3-methoxy-4-methylphenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540306
[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 125134753
N-propyl-1-[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]piperidine-3-carboxamide
CID 47088076

Frequently Asked Questions

What is the IUPAC name of [3-(methylaminomethyl)pyrrolidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride?
The IUPAC name of [3-(methylaminomethyl)pyrrolidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride (CID 119542396) is [3-(methylaminomethyl)pyrrolidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride.
What is the SMILES notation for [3-(methylaminomethyl)pyrrolidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride?
The canonical SMILES for [3-(methylaminomethyl)pyrrolidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride is CNCC1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CC2)C1.Cl.
What is the InChIKey of [3-(methylaminomethyl)pyrrolidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride?
The InChIKey is ZLVCYHAIZGZKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O.ClH/c1-21-10-12-5-8-22(11-12)15(23)16(6-7-16)13-3-2-4-14(9-13)17(18,19)20;/h2-4,9,12,21H,5-8,10-11H2,1H3;1H.
What are the key properties of [3-(methylaminomethyl)pyrrolidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride?
[3-(methylaminomethyl)pyrrolidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride has a molecular weight of 362.82 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylaminomethyl)pyrrolidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride is sourced from PubChem (CID 119542396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).