5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]aniline

C13H20N2O — CID 67256044

IUPAC5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]aniline
SMILESCc1ccc(OCC2CCCN2C)c(N)c1
InChIInChI=1S/C13H20N2O/c1-10-5-6-13(12(14)8-10)16-9-11-4-3-7-15(11)2/h5-6,8,11H,3-4,7,9,14H2,1-2H3
InChIKeyQCFWMLMLBOKNKZ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.05
Rot. Bonds3

About 5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]aniline

5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]aniline (PubChem CID 67256044) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]aniline.

Molecular Properties

Compound Name5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]aniline
PubChem CID67256044
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]aniline
SMILESCc1ccc(OCC2CCCN2C)c(N)c1
InChIInChI=1S/C13H20N2O/c1-10-5-6-13(12(14)8-10)16-9-11-4-3-7-15(11)2/h5-6,8,11H,3-4,7,9,14H2,1-2H3
InChIKeyQCFWMLMLBOKNKZ-UHFFFAOYSA-N
XLogP2.05
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]aniline
CID 65472061
5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide
CID 107930849
4-[(1-methylpiperidin-2-yl)methoxy]pyridin-3-amine
CID 65472260
2-[[(2S)-1-methylazetidin-2-yl]methoxy]-5-(trifluoromethyl)aniline
CID 150636929
(2S)-2-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpyrrolidine
CID 143189445
4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenol
CID 122185342
5-bromo-4-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]aniline
CID 66110381
1-[5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 21034120
2-[(1-methylpyrrolidin-2-yl)methoxy]pyridin-3-amine
CID 117096154
3-methyl-5-[(1-methylpiperidin-2-yl)methoxy]aniline
CID 112648511
1-methyl-2-[2-[4-methyl-2-[[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]phenoxy]ethyl]piperidine
CID 20738685
2-methyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 54335638

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]aniline?
The IUPAC name of 5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]aniline (CID 67256044) is 5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]aniline.
What is the SMILES notation for 5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]aniline?
The canonical SMILES for 5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]aniline is Cc1ccc(OCC2CCCN2C)c(N)c1.
What is the InChIKey of 5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]aniline?
The InChIKey is QCFWMLMLBOKNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-5-6-13(12(14)8-10)16-9-11-4-3-7-15(11)2/h5-6,8,11H,3-4,7,9,14H2,1-2H3.
What are the key properties of 5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]aniline?
5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]aniline has a molecular weight of 220.32 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]aniline is sourced from PubChem (CID 67256044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).