3-methyl-4-(1-methylpyrrolidin-3-yl)oxyaniline

C12H18N2O — CID 171834819

IUPAC3-methyl-4-(1-methylpyrrolidin-3-yl)oxyaniline
SMILESCc1cc(N)ccc1OC1CCN(C)C1
InChIInChI=1S/C12H18N2O/c1-9-7-10(13)3-4-12(9)15-11-5-6-14(2)8-11/h3-4,7,11H,5-6,8,13H2,1-2H3
InChIKeyYFMLKQJWBMOOJH-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.66
Rot. Bonds2

About 3-methyl-4-(1-methylpyrrolidin-3-yl)oxyaniline

3-methyl-4-(1-methylpyrrolidin-3-yl)oxyaniline (PubChem CID 171834819) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-methyl-4-(1-methylpyrrolidin-3-yl)oxyaniline.

Molecular Properties

Compound Name3-methyl-4-(1-methylpyrrolidin-3-yl)oxyaniline
PubChem CID171834819
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-methyl-4-(1-methylpyrrolidin-3-yl)oxyaniline
SMILESCc1cc(N)ccc1OC1CCN(C)C1
InChIInChI=1S/C12H18N2O/c1-9-7-10(13)3-4-12(9)15-11-5-6-14(2)8-11/h3-4,7,11H,5-6,8,13H2,1-2H3
InChIKeyYFMLKQJWBMOOJH-UHFFFAOYSA-N
XLogP1.66
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.66
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

4-chloro-3-[(3R)-1-methylpyrrolidin-3-yl]oxyaniline
CID 46942138
3-methyl-4-(1-propan-2-ylpiperidin-4-yl)oxyaniline
CID 170327200
5-methyl-2-[(3S)-1-methylpyrrolidin-3-yl]oxyaniline
CID 170995493
3-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]aniline
CID 68943596
tert-butyl 3-(4-amino-2-methylphenoxy)pyrrolidine-1-carboxylate
CID 166611410
tert-butyl (3R)-3-(4-amino-2-methylphenoxy)pyrrolidine-1-carboxylate
CID 171624756
2-methoxy-4-[(3R)-1-methylpyrrolidin-3-yl]oxyaniline
CID 67208572
3-chloro-4-[1-(4-chloro-3-methylphenyl)pyrrolidin-3-yl]oxyaniline
CID 137455260
3-chloro-4-[(3S)-1-(4-methylphenyl)pyrrolidin-3-yl]oxyaniline
CID 142522055
1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine
CID 115005056
5-bromo-2-(1-methylpyrrolidin-3-yl)oxybenzenecarbothioamide
CID 112741320
2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-2-amine
CID 117415768

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1-methylpyrrolidin-3-yl)oxyaniline?
The IUPAC name of 3-methyl-4-(1-methylpyrrolidin-3-yl)oxyaniline (CID 171834819) is 3-methyl-4-(1-methylpyrrolidin-3-yl)oxyaniline.
What is the SMILES notation for 3-methyl-4-(1-methylpyrrolidin-3-yl)oxyaniline?
The canonical SMILES for 3-methyl-4-(1-methylpyrrolidin-3-yl)oxyaniline is Cc1cc(N)ccc1OC1CCN(C)C1.
What is the InChIKey of 3-methyl-4-(1-methylpyrrolidin-3-yl)oxyaniline?
The InChIKey is YFMLKQJWBMOOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-7-10(13)3-4-12(9)15-11-5-6-14(2)8-11/h3-4,7,11H,5-6,8,13H2,1-2H3.
What are the key properties of 3-methyl-4-(1-methylpyrrolidin-3-yl)oxyaniline?
3-methyl-4-(1-methylpyrrolidin-3-yl)oxyaniline has a molecular weight of 206.29 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1-methylpyrrolidin-3-yl)oxyaniline is sourced from PubChem (CID 171834819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).