[3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone

C13H18N2O — CID 81467156

IUPAC[3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone
SMILESCNC1CCN(C(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C13H18N2O/c1-10-3-5-11(6-4-10)13(16)15-8-7-12(9-15)14-2/h3-6,12,14H,7-9H2,1-2H3
InChIKeyAJFUJIGNWGLJOI-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.43
Rot. Bonds2

About [3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone

[3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone (PubChem CID 81467156) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is [3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone
PubChem CID81467156
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name[3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone
SMILESCNC1CCN(C(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C13H18N2O/c1-10-3-5-11(6-4-10)13(16)15-8-7-12(9-15)14-2/h3-6,12,14H,7-9H2,1-2H3
InChIKeyAJFUJIGNWGLJOI-UHFFFAOYSA-N
XLogP1.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81466873
(4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413852
(4-tert-butylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413934
[4-(methylamino)piperidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone;hydrochloride
CID 119563251
[3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride
CID 119413830
(4-chloro-3-methylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 112701154
[3-(methylamino)pyrrolidin-1-yl]-pyridazin-4-ylmethanone
CID 104671679
[3-(methylamino)pyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone
CID 106753716
(3,4-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413636
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
1-(4-methylbenzoyl)piperidine-3,4-dicarboxylic acid
CID 115918184
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone (CID 81467156) is [3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone is CNC1CCN(C(=O)c2ccc(C)cc2)C1.
What is the InChIKey of [3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is AJFUJIGNWGLJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-3-5-11(6-4-10)13(16)15-8-7-12(9-15)14-2/h3-6,12,14H,7-9H2,1-2H3.
What are the key properties of [3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone?
[3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 218.30 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 81467156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).