3-bromo-2-pyrrolidin-3-ylaniline

C10H13BrN2 — CID 117103675

IUPAC3-bromo-2-pyrrolidin-3-ylaniline
SMILESNc1cccc(Br)c1C1CCNC1
InChIInChI=1S/C10H13BrN2/c11-8-2-1-3-9(12)10(8)7-4-5-13-6-7/h1-3,7,13H,4-6,12H2
InChIKeyJLIXNLIADJAHHE-UHFFFAOYSA-N
MW241.13 g/mol
LogP2.11
Rot. Bonds1

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

3-bromo-2-pyrrolidin-3-ylaniline (PubChem CID 117103675) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is 3-bromo-2-pyrrolidin-3-ylaniline.

Molecular Properties

Compound Name3-bromo-2-pyrrolidin-3-ylaniline
PubChem CID117103675
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name3-bromo-2-pyrrolidin-3-ylaniline
SMILESNc1cccc(Br)c1C1CCNC1
InChIInChI=1S/C10H13BrN2/c11-8-2-1-3-9(12)10(8)7-4-5-13-6-7/h1-3,7,13H,4-6,12H2
InChIKeyJLIXNLIADJAHHE-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-amino-2-pyrrolidin-3-ylphenol
CID 117103671
3-(2-bromo-6-methylphenyl)pyrrolidine
CID 117103930
(3R)-3-(2-bromophenyl)pyrrolidine
CID 95447261
2-pyrrolidin-3-ylaniline;dihydrochloride
CID 139593328
3-(3-bromo-2-fluorophenyl)pyrrolidine
CID 83720848
5-bromo-2-pyrrolidin-3-ylaniline
CID 117103702
(3S)-3-(2,6-dimethylphenyl)pyrrolidine
CID 93478436
4-(2-bromophenyl)-2-pyrrolidin-3-ylpyrimidine
CID 116898844
3-[(3S)-pyrrolidin-3-yl]aniline
CID 86324837
3-bromo-6-pyrrolidin-3-ylbenzene-1,2-diol
CID 117398339
2-amino-3-pyrrolidin-3-ylphenol
CID 117103712
4-bromo-3-fluoro-2-pyrrolidin-3-ylphenol
CID 84710037

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-pyrrolidin-3-ylaniline?
The IUPAC name of 3-bromo-2-pyrrolidin-3-ylaniline (CID 117103675) is 3-bromo-2-pyrrolidin-3-ylaniline.
What is the SMILES notation for 3-bromo-2-pyrrolidin-3-ylaniline?
The canonical SMILES for 3-bromo-2-pyrrolidin-3-ylaniline is Nc1cccc(Br)c1C1CCNC1.
What is the InChIKey of 3-bromo-2-pyrrolidin-3-ylaniline?
The InChIKey is JLIXNLIADJAHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2/c11-8-2-1-3-9(12)10(8)7-4-5-13-6-7/h1-3,7,13H,4-6,12H2.
What are the key properties of 3-bromo-2-pyrrolidin-3-ylaniline?
3-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 3-bromo-2-pyrrolidin-3-ylaniline is sourced from PubChem (CID 117103675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).