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

C13H19BrN2 — CID 117455118

IUPAC2-bromo-N,N-dimethyl-4-(2-methylpyrrolidin-2-yl)aniline
SMILESCN(C)c1ccc(C2(C)CCCN2)cc1Br
InChIInChI=1S/C13H19BrN2/c1-13(7-4-8-15-13)10-5-6-12(16(2)3)11(14)9-10/h5-6,9,15H,4,7-8H2,1-3H3
InChIKeyPDYZBMUYVUYGRQ-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.11
Rot. Bonds2

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

2-bromo-N,N-dimethyl-4-(2-methylpyrrolidin-2-yl)aniline (PubChem CID 117455118) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 2-bromo-N,N-dimethyl-4-(2-methylpyrrolidin-2-yl)aniline.

Molecular Properties

Compound Name2-bromo-N,N-dimethyl-4-(2-methylpyrrolidin-2-yl)aniline
PubChem CID117455118
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name2-bromo-N,N-dimethyl-4-(2-methylpyrrolidin-2-yl)aniline
SMILESCN(C)c1ccc(C2(C)CCCN2)cc1Br
InChIInChI=1S/C13H19BrN2/c1-13(7-4-8-15-13)10-5-6-12(16(2)3)11(14)9-10/h5-6,9,15H,4,7-8H2,1-3H3
InChIKeyPDYZBMUYVUYGRQ-UHFFFAOYSA-N
XLogP3.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-4-pentan-3-ylphenyl)-2-methylpyrrolidine
CID 117495250
1-[3-bromo-4-(dimethylamino)phenyl]cyclopropan-1-ol
CID 117393248
4-(1-aminocyclohexyl)-2-bromo-N,N-dimethylaniline
CID 117478718
4-[1-(aminomethyl)cyclobutyl]-2-bromo-N,N-dimethylaniline
CID 117455123
4-methoxy-N,N-dimethyl-2-(2-methylpyrrolidin-2-yl)aniline
CID 117341086
2-(4-chloro-3-methylphenyl)-2-methylpyrrolidine
CID 117299725
4-(2-methylpyrrolidin-2-yl)phenol
CID 82599572
4-[1-(1-aminoethyl)cyclopropyl]-2-bromo-N,N-dimethylaniline
CID 117455098
1-[3-bromo-4-(dimethylamino)phenyl]cyclopropane-1-carboxylic acid
CID 117457005
1,4-dimethyl-6-(2-methylpyrrolidin-2-yl)-2,3-dihydroquinoxaline
CID 117366263
2-(2-bromophenyl)-2-methylpyrrolidine
CID 82621906
3-bromo-5-(2-methylpyrrolidin-2-yl)pyridine
CID 167103901

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,N-dimethyl-4-(2-methylpyrrolidin-2-yl)aniline?
The IUPAC name of 2-bromo-N,N-dimethyl-4-(2-methylpyrrolidin-2-yl)aniline (CID 117455118) is 2-bromo-N,N-dimethyl-4-(2-methylpyrrolidin-2-yl)aniline.
What is the SMILES notation for 2-bromo-N,N-dimethyl-4-(2-methylpyrrolidin-2-yl)aniline?
The canonical SMILES for 2-bromo-N,N-dimethyl-4-(2-methylpyrrolidin-2-yl)aniline is CN(C)c1ccc(C2(C)CCCN2)cc1Br.
What is the InChIKey of 2-bromo-N,N-dimethyl-4-(2-methylpyrrolidin-2-yl)aniline?
The InChIKey is PDYZBMUYVUYGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-13(7-4-8-15-13)10-5-6-12(16(2)3)11(14)9-10/h5-6,9,15H,4,7-8H2,1-3H3.
What are the key properties of 2-bromo-N,N-dimethyl-4-(2-methylpyrrolidin-2-yl)aniline?
2-bromo-N,N-dimethyl-4-(2-methylpyrrolidin-2-yl)aniline has a molecular weight of 283.21 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N-dimethyl-4-(2-methylpyrrolidin-2-yl)aniline is sourced from PubChem (CID 117455118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).