3-(4-bromophenyl)-2-propan-2-ylpyrrolidine

C13H18BrN — CID 82379536

IUPAC3-(4-bromophenyl)-2-propan-2-ylpyrrolidine
SMILESCC(C)C1NCCC1c1ccc(Br)cc1
InChIInChI=1S/C13H18BrN/c1-9(2)13-12(7-8-15-13)10-3-5-11(14)6-4-10/h3-6,9,12-13,15H,7-8H2,1-2H3
InChIKeyHONVNMBAHQOIID-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.55
Rot. Bonds2

About 3-(4-bromophenyl)-2-propan-2-ylpyrrolidine

3-(4-bromophenyl)-2-propan-2-ylpyrrolidine (PubChem CID 82379536) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-propan-2-ylpyrrolidine
PubChem CID82379536
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name3-(4-bromophenyl)-2-propan-2-ylpyrrolidine
SMILESCC(C)C1NCCC1c1ccc(Br)cc1
InChIInChI=1S/C13H18BrN/c1-9(2)13-12(7-8-15-13)10-3-5-11(14)6-4-10/h3-6,9,12-13,15H,7-8H2,1-2H3
InChIKeyHONVNMBAHQOIID-UHFFFAOYSA-N
XLogP3.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(4-bromophenyl)-2-propan-2-ylpyrrolidine 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

(2S,3R)-3-phenyl-2-propan-2-ylpyrrolidine
CID 124508929
3-phenyl-2-propan-2-ylpyrrolidine
CID 64689457
4-(4-bromophenyl)-3-propan-2-ylpiperidine
CID 79321311
(2S)-2-(4-bromophenyl)azetidine
CID 91980119
3-(4-chlorophenyl)-2-(2-methylpropyl)pyrrolidine
CID 62763269
(2S,3R)-2-(2-methylpropyl)-3-phenylpyrrolidine
CID 101397686
(2S,3S)-2-(2-methylpropyl)-3-phenylpyrrolidine
CID 101397684
2-(4-bromophenyl)-6-methyl-1,3-thiazinane
CID 66224229
(1S)-1-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]ethanol
CID 124828711
2-(4-bromophenyl)cyclobutan-1-ol
CID 126971923
3-(4-bromophenyl)-2,7-dimethyl-1,4-thiazepane
CID 66226053
2-(4-bromophenyl)-5-propan-2-ylmorpholine
CID 79247039

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-propan-2-ylpyrrolidine?
The IUPAC name of 3-(4-bromophenyl)-2-propan-2-ylpyrrolidine (CID 82379536) is 3-(4-bromophenyl)-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-(4-bromophenyl)-2-propan-2-ylpyrrolidine?
The canonical SMILES for 3-(4-bromophenyl)-2-propan-2-ylpyrrolidine is CC(C)C1NCCC1c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2-propan-2-ylpyrrolidine?
The InChIKey is HONVNMBAHQOIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-9(2)13-12(7-8-15-13)10-3-5-11(14)6-4-10/h3-6,9,12-13,15H,7-8H2,1-2H3.
What are the key properties of 3-(4-bromophenyl)-2-propan-2-ylpyrrolidine?
3-(4-bromophenyl)-2-propan-2-ylpyrrolidine has a molecular weight of 268.20 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 82379536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).