2-[(3-methoxy-3-methylpyrrolidin-1-yl)methyl]aniline

C13H20N2O — CID 167795344

IUPAC2-[(3-methoxy-3-methylpyrrolidin-1-yl)methyl]aniline
SMILESCOC1(C)CCN(Cc2ccccc2N)C1
InChIInChI=1S/C13H20N2O/c1-13(16-2)7-8-15(10-13)9-11-5-3-4-6-12(11)14/h3-6H,7-10,14H2,1-2H3
InChIKeyRKNUHDMQVJYRMU-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.88
Rot. Bonds3

About 2-[(3-methoxy-3-methylpyrrolidin-1-yl)methyl]aniline

2-[(3-methoxy-3-methylpyrrolidin-1-yl)methyl]aniline (PubChem CID 167795344) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[(3-methoxy-3-methylpyrrolidin-1-yl)methyl]aniline.

Molecular Properties

Compound Name2-[(3-methoxy-3-methylpyrrolidin-1-yl)methyl]aniline
PubChem CID167795344
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[(3-methoxy-3-methylpyrrolidin-1-yl)methyl]aniline
SMILESCOC1(C)CCN(Cc2ccccc2N)C1
InChIInChI=1S/C13H20N2O/c1-13(16-2)7-8-15(10-13)9-11-5-3-4-6-12(11)14/h3-6H,7-10,14H2,1-2H3
InChIKeyRKNUHDMQVJYRMU-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(3-methoxy-3-methylpyrrolidin-1-yl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]aniline
CID 107453436
3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]quinolin-2-amine
CID 107394991
1-[(2-chlorophenyl)methyl]-3-methoxy-3-methylazetidine
CID 53230360
2-(2-azaspiro[3.3]heptan-2-ylmethyl)aniline
CID 79689231
3-fluoro-4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline
CID 107390766
4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline
CID 107390674
2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]aniline
CID 12973962
2-(2-azaspiro[3.5]nonan-2-ylmethyl)aniline
CID 79689000
4-ethoxy-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline
CID 107390802
2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]aniline
CID 64570821
[2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine
CID 107395035
2-[(4-tert-butylpiperazin-1-yl)methyl]aniline
CID 61430149

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-3-methylpyrrolidin-1-yl)methyl]aniline?
The IUPAC name of 2-[(3-methoxy-3-methylpyrrolidin-1-yl)methyl]aniline (CID 167795344) is 2-[(3-methoxy-3-methylpyrrolidin-1-yl)methyl]aniline.
What is the SMILES notation for 2-[(3-methoxy-3-methylpyrrolidin-1-yl)methyl]aniline?
The canonical SMILES for 2-[(3-methoxy-3-methylpyrrolidin-1-yl)methyl]aniline is COC1(C)CCN(Cc2ccccc2N)C1.
What is the InChIKey of 2-[(3-methoxy-3-methylpyrrolidin-1-yl)methyl]aniline?
The InChIKey is RKNUHDMQVJYRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-13(16-2)7-8-15(10-13)9-11-5-3-4-6-12(11)14/h3-6H,7-10,14H2,1-2H3.
What are the key properties of 2-[(3-methoxy-3-methylpyrrolidin-1-yl)methyl]aniline?
2-[(3-methoxy-3-methylpyrrolidin-1-yl)methyl]aniline has a molecular weight of 220.32 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-3-methylpyrrolidin-1-yl)methyl]aniline is sourced from PubChem (CID 167795344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).