4-methoxy-N,N-dimethyl-2-(2-methylpyrrolidin-2-yl)aniline

C14H22N2O — CID 117341086

IUPAC4-methoxy-N,N-dimethyl-2-(2-methylpyrrolidin-2-yl)aniline
SMILESCOc1ccc(N(C)C)c(C2(C)CCCN2)c1
InChIInChI=1S/C14H22N2O/c1-14(8-5-9-15-14)12-10-11(17-4)6-7-13(12)16(2)3/h6-7,10,15H,5,8-9H2,1-4H3
InChIKeyXVMGJGOFFFEPRU-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.36
Rot. Bonds3

About 4-methoxy-N,N-dimethyl-2-(2-methylpyrrolidin-2-yl)aniline

4-methoxy-N,N-dimethyl-2-(2-methylpyrrolidin-2-yl)aniline (PubChem CID 117341086) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethyl-2-(2-methylpyrrolidin-2-yl)aniline.

Molecular Properties

Compound Name4-methoxy-N,N-dimethyl-2-(2-methylpyrrolidin-2-yl)aniline
PubChem CID117341086
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-methoxy-N,N-dimethyl-2-(2-methylpyrrolidin-2-yl)aniline
SMILESCOc1ccc(N(C)C)c(C2(C)CCCN2)c1
InChIInChI=1S/C14H22N2O/c1-14(8-5-9-15-14)12-10-11(17-4)6-7-13(12)16(2)3/h6-7,10,15H,5,8-9H2,1-4H3
InChIKeyXVMGJGOFFFEPRU-UHFFFAOYSA-N
XLogP2.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(5-methoxy-2-methylphenyl)-2-methylpyrrolidine
CID 117293900
2-(2-fluoro-5-methoxyphenyl)-2-methylpyrrolidine
CID 117298992
2-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-methylpyrrolidine
CID 117405565
2-(4-methoxy-2-methylphenyl)-2-methylazepane
CID 79118168
5-methoxy-1-methyl-3-(2-methylpyrrolidin-2-yl)indole
CID 82664697
7-methoxy-4-(2-methylpyrrolidin-2-yl)quinoline
CID 82664348
2-(2-bromo-5-methoxy-3-methylphenyl)-2-methylpyrrolidine
CID 117457126
2-(2,5-dimethoxyphenyl)-2-propan-2-ylpyrrolidine
CID 66465821
2-bromo-N,N-dimethyl-4-(2-methylpyrrolidin-2-yl)aniline
CID 117455118
2-[1-(1-aminoethyl)cyclopropyl]-4-methoxy-N,N-dimethylaniline
CID 117341054
2-(2-methoxy-5-methylphenyl)-2-methylpyrrolidine
CID 66467357
2-(3-methoxyphenyl)-2-methylpiperidine
CID 83532633

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-dimethyl-2-(2-methylpyrrolidin-2-yl)aniline?
The IUPAC name of 4-methoxy-N,N-dimethyl-2-(2-methylpyrrolidin-2-yl)aniline (CID 117341086) is 4-methoxy-N,N-dimethyl-2-(2-methylpyrrolidin-2-yl)aniline.
What is the SMILES notation for 4-methoxy-N,N-dimethyl-2-(2-methylpyrrolidin-2-yl)aniline?
The canonical SMILES for 4-methoxy-N,N-dimethyl-2-(2-methylpyrrolidin-2-yl)aniline is COc1ccc(N(C)C)c(C2(C)CCCN2)c1.
What is the InChIKey of 4-methoxy-N,N-dimethyl-2-(2-methylpyrrolidin-2-yl)aniline?
The InChIKey is XVMGJGOFFFEPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(8-5-9-15-14)12-10-11(17-4)6-7-13(12)16(2)3/h6-7,10,15H,5,8-9H2,1-4H3.
What are the key properties of 4-methoxy-N,N-dimethyl-2-(2-methylpyrrolidin-2-yl)aniline?
4-methoxy-N,N-dimethyl-2-(2-methylpyrrolidin-2-yl)aniline has a molecular weight of 234.34 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dimethyl-2-(2-methylpyrrolidin-2-yl)aniline is sourced from PubChem (CID 117341086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).