5-bromo-2-pyrrolidin-3-ylaniline

C10H13BrN2 — CID 117103702

IUPAC5-bromo-2-pyrrolidin-3-ylaniline
SMILESNc1cc(Br)ccc1C1CCNC1
InChIInChI=1S/C10H13BrN2/c11-8-1-2-9(10(12)5-8)7-3-4-13-6-7/h1-2,5,7,13H,3-4,6,12H2
InChIKeyTWMGDVWAWKHLBL-UHFFFAOYSA-N
MW241.13 g/mol
LogP2.11
Rot. Bonds1

About 5-bromo-2-pyrrolidin-3-ylaniline

5-bromo-2-pyrrolidin-3-ylaniline (PubChem CID 117103702) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is 5-bromo-2-pyrrolidin-3-ylaniline.

Molecular Properties

Compound Name5-bromo-2-pyrrolidin-3-ylaniline
PubChem CID117103702
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name5-bromo-2-pyrrolidin-3-ylaniline
SMILESNc1cc(Br)ccc1C1CCNC1
InChIInChI=1S/C10H13BrN2/c11-8-1-2-9(10(12)5-8)7-3-4-13-6-7/h1-2,5,7,13H,3-4,6,12H2
InChIKeyTWMGDVWAWKHLBL-UHFFFAOYSA-N
XLogP2.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(5-bromo-2-methylphenyl)pyrrolidine
CID 82388123
2-pyrrolidin-3-yl-5-(trifluoromethyl)aniline
CID 117103696
2-pyrrolidin-3-ylaniline;dihydrochloride
CID 139593328
3-(5-bromo-2-methylsulfanylphenyl)pyrrolidine
CID 84713327
4-bromo-10-azatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene
CID 11345749
5-bromo-3-[(3R)-pyrrolidin-3-yl]-1H-indole
CID 95432462
3-amino-4-[(3S)-piperidin-3-yl]phenol
CID 130631075
(3R)-3-(4-bromo-2-chlorophenyl)piperidine
CID 130852856
3-fluoro-4-pyrrolidin-3-ylaniline
CID 22625736
4-methyl-2-[(3S)-pyrrolidin-3-yl]aniline
CID 130706409
3-bromo-2-pyrrolidin-3-ylaniline
CID 117103675
2-amino-3-pyrrolidin-3-ylphenol
CID 117103712

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-pyrrolidin-3-ylaniline?
The IUPAC name of 5-bromo-2-pyrrolidin-3-ylaniline (CID 117103702) is 5-bromo-2-pyrrolidin-3-ylaniline.
What is the SMILES notation for 5-bromo-2-pyrrolidin-3-ylaniline?
The canonical SMILES for 5-bromo-2-pyrrolidin-3-ylaniline is Nc1cc(Br)ccc1C1CCNC1.
What is the InChIKey of 5-bromo-2-pyrrolidin-3-ylaniline?
The InChIKey is TWMGDVWAWKHLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2/c11-8-1-2-9(10(12)5-8)7-3-4-13-6-7/h1-2,5,7,13H,3-4,6,12H2.
What are the key properties of 5-bromo-2-pyrrolidin-3-ylaniline?
5-bromo-2-pyrrolidin-3-ylaniline has a molecular weight of 241.13 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-pyrrolidin-3-ylaniline is sourced from PubChem (CID 117103702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).