[3-(methylamino)phenyl]-(2-methylpyrrolidin-1-yl)methanone

C13H18N2O — CID 83625399

IUPAC[3-(methylamino)phenyl]-(2-methylpyrrolidin-1-yl)methanone
SMILESCNc1cccc(C(=O)N2CCCC2C)c1
InChIInChI=1S/C13H18N2O/c1-10-5-4-8-15(10)13(16)11-6-3-7-12(9-11)14-2/h3,6-7,9-10,14H,4-5,8H2,1-2H3
InChIKeyAADSDNHLGLCUHG-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.35
Rot. Bonds2

About [3-(methylamino)phenyl]-(2-methylpyrrolidin-1-yl)methanone

[3-(methylamino)phenyl]-(2-methylpyrrolidin-1-yl)methanone (PubChem CID 83625399) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is [3-(methylamino)phenyl]-(2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(methylamino)phenyl]-(2-methylpyrrolidin-1-yl)methanone
PubChem CID83625399
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name[3-(methylamino)phenyl]-(2-methylpyrrolidin-1-yl)methanone
SMILESCNc1cccc(C(=O)N2CCCC2C)c1
InChIInChI=1S/C13H18N2O/c1-10-5-4-8-15(10)13(16)11-6-3-7-12(9-11)14-2/h3,6-7,9-10,14H,4-5,8H2,1-2H3
InChIKeyAADSDNHLGLCUHG-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 2937708
methyl 3-[(2S)-2-methylpyrrolidine-1-carbonyl]benzoate
CID 138479596
(3-bromophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40543984
[4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 62170939
tert-butyl N-[3-(2-methylpiperidine-1-carbonyl)phenyl]carbamate
CID 24537551
[3-(methylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 70790157
(3-aminophenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 119676366
N-cyclopropyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 154839161
N-[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 66262101
3-[(2S)-2-methylpiperidine-1-carbonyl]benzonitrile
CID 2553523
[(2R)-2-methylpiperidin-1-yl]-(3-nitrophenyl)methanone
CID 40541675
[2-(methylamino)-4-pyridinyl]-(2-methylpiperidin-1-yl)methanone
CID 62172868

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)phenyl]-(2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [3-(methylamino)phenyl]-(2-methylpyrrolidin-1-yl)methanone (CID 83625399) is [3-(methylamino)phenyl]-(2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [3-(methylamino)phenyl]-(2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [3-(methylamino)phenyl]-(2-methylpyrrolidin-1-yl)methanone is CNc1cccc(C(=O)N2CCCC2C)c1.
What is the InChIKey of [3-(methylamino)phenyl]-(2-methylpyrrolidin-1-yl)methanone?
The InChIKey is AADSDNHLGLCUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-5-4-8-15(10)13(16)11-6-3-7-12(9-11)14-2/h3,6-7,9-10,14H,4-5,8H2,1-2H3.
What are the key properties of [3-(methylamino)phenyl]-(2-methylpyrrolidin-1-yl)methanone?
[3-(methylamino)phenyl]-(2-methylpyrrolidin-1-yl)methanone has a molecular weight of 218.30 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)phenyl]-(2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 83625399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).