1-[[2-(3-bromophenyl)cyclopropyl]methyl]pyrrolidine

C14H18BrN — CID 90016806

IUPAC1-[[2-(3-bromophenyl)cyclopropyl]methyl]pyrrolidine
SMILESBrc1cccc(C2CC2CN2CCCC2)c1
InChIInChI=1S/C14H18BrN/c15-13-5-3-4-11(8-13)14-9-12(14)10-16-6-1-2-7-16/h3-5,8,12,14H,1-2,6-7,9-10H2
InChIKeyYNXVUXIPPHCGDP-UHFFFAOYSA-N
MW280.21 g/mol
LogP3.65
Rot. Bonds3

About 1-[[2-(3-bromophenyl)cyclopropyl]methyl]pyrrolidine

1-[[2-(3-bromophenyl)cyclopropyl]methyl]pyrrolidine (PubChem CID 90016806) has the molecular formula C14H18BrN and a molecular weight of 280.21 g/mol. Its IUPAC name is 1-[[2-(3-bromophenyl)cyclopropyl]methyl]pyrrolidine.

Molecular Properties

Compound Name1-[[2-(3-bromophenyl)cyclopropyl]methyl]pyrrolidine
PubChem CID90016806
Molecular FormulaC14H18BrN
Molecular Weight280.21 g/mol
Exact Mass279.06
IUPAC Name1-[[2-(3-bromophenyl)cyclopropyl]methyl]pyrrolidine
SMILESBrc1cccc(C2CC2CN2CCCC2)c1
InChIInChI=1S/C14H18BrN/c15-13-5-3-4-11(8-13)14-9-12(14)10-16-6-1-2-7-16/h3-5,8,12,14H,1-2,6-7,9-10H2
InChIKeyYNXVUXIPPHCGDP-UHFFFAOYSA-N
XLogP3.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[[2-(3-bromophenyl)cyclopropyl]methyl]pyrrolidine 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

1-bromo-3-(2-propylcyclopropyl)benzene
CID 142794167
1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine
CID 94558340
1-[(1R,2S)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine
CID 94558337
1-(4-bromo-3-methylphenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine
CID 20736310
1-(2,3-dichlorophenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine
CID 10761040
(1R)-2-(3-bromophenyl)cyclopentan-1-ol
CID 172622901
1-[2-(3-bromophenyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 119166076
(3R)-1-[(1S,2S)-2-(3-bromophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 125148642
2-methyl-2-[4-[(2-phenylcyclopropyl)methyl]piperazin-1-yl]propan-1-ol
CID 154859097
[4-(3-bromophenyl)-1-methylpyrrolidin-3-yl]methanol
CID 102568208
3-[4-fluoro-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]phenol
CID 71257843
2-(3-bromophenyl)cyclopropane-1-carbonitrile
CID 82080179

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-bromophenyl)cyclopropyl]methyl]pyrrolidine?
The IUPAC name of 1-[[2-(3-bromophenyl)cyclopropyl]methyl]pyrrolidine (CID 90016806) is 1-[[2-(3-bromophenyl)cyclopropyl]methyl]pyrrolidine.
What is the SMILES notation for 1-[[2-(3-bromophenyl)cyclopropyl]methyl]pyrrolidine?
The canonical SMILES for 1-[[2-(3-bromophenyl)cyclopropyl]methyl]pyrrolidine is Brc1cccc(C2CC2CN2CCCC2)c1.
What is the InChIKey of 1-[[2-(3-bromophenyl)cyclopropyl]methyl]pyrrolidine?
The InChIKey is YNXVUXIPPHCGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN/c15-13-5-3-4-11(8-13)14-9-12(14)10-16-6-1-2-7-16/h3-5,8,12,14H,1-2,6-7,9-10H2.
What are the key properties of 1-[[2-(3-bromophenyl)cyclopropyl]methyl]pyrrolidine?
1-[[2-(3-bromophenyl)cyclopropyl]methyl]pyrrolidine has a molecular weight of 280.21 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-bromophenyl)cyclopropyl]methyl]pyrrolidine is sourced from PubChem (CID 90016806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).