3-[2-(2-bromophenyl)ethyl]-3-azabicyclo[3.1.0]hexane

C13H16BrN — CID 83825905

IUPAC3-[2-(2-bromophenyl)ethyl]-3-azabicyclo[3.1.0]hexane
SMILESBrc1ccccc1CCN1CC2CC2C1
InChIInChI=1S/C13H16BrN/c14-13-4-2-1-3-10(13)5-6-15-8-11-7-12(11)9-15/h1-4,11-12H,5-9H2
InChIKeyCGVCRGKWLSMNQE-UHFFFAOYSA-N
MW266.18 g/mol
LogP2.94
Rot. Bonds3

About 3-[2-(2-bromophenyl)ethyl]-3-azabicyclo[3.1.0]hexane

3-[2-(2-bromophenyl)ethyl]-3-azabicyclo[3.1.0]hexane (PubChem CID 83825905) has the molecular formula C13H16BrN and a molecular weight of 266.18 g/mol. Its IUPAC name is 3-[2-(2-bromophenyl)ethyl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-[2-(2-bromophenyl)ethyl]-3-azabicyclo[3.1.0]hexane
PubChem CID83825905
Molecular FormulaC13H16BrN
Molecular Weight266.18 g/mol
Exact Mass265.05
IUPAC Name3-[2-(2-bromophenyl)ethyl]-3-azabicyclo[3.1.0]hexane
SMILESBrc1ccccc1CCN1CC2CC2C1
InChIInChI=1S/C13H16BrN/c14-13-4-2-1-3-10(13)5-6-15-8-11-7-12(11)9-15/h1-4,11-12H,5-9H2
InChIKeyCGVCRGKWLSMNQE-UHFFFAOYSA-N
XLogP2.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-[2-(2-bromophenyl)ethyl]-3-azabicyclo[3.1.0]hexane 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

3-[2-(2-bromophenyl)ethyl]-3,6-diazabicyclo[3.1.1]heptane
CID 84812065
3-[2-(2-bromophenyl)ethyl]-6-oxa-3-azabicyclo[3.1.1]heptan-2-one
CID 84815593
[2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]phenyl]methanamine
CID 115560349
1-[(2-bromophenyl)methyl]pyrrolidine-3,4-diol
CID 106672210
1-[2-(2-bromophenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714885
1,2-dichlorobenzene;3-propyl-3-azabicyclo[3.1.0]hexane
CID 143403306
3-[2-(2-bromophenyl)ethyl]imidazolidine-2,4-dione
CID 71559461
1-bromo-2-propylbenzene;formaldehyde
CID 174375700
(3aS,6aR)-2-methyl-5-(2-phenylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 118534999
3-(bromomethyl)-1-[(2-bromophenyl)methyl]piperidine
CID 80679308
3-(2-bromophenyl)-1-(3-ethylsulfonylazetidin-1-yl)propan-1-one
CID 121164365
S-[1-[2-(2-bromophenyl)ethyl]-5-oxopyrrolidin-3-yl] ethanethioate
CID 168706051

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-bromophenyl)ethyl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-[2-(2-bromophenyl)ethyl]-3-azabicyclo[3.1.0]hexane (CID 83825905) is 3-[2-(2-bromophenyl)ethyl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-[2-(2-bromophenyl)ethyl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-[2-(2-bromophenyl)ethyl]-3-azabicyclo[3.1.0]hexane is Brc1ccccc1CCN1CC2CC2C1.
What is the InChIKey of 3-[2-(2-bromophenyl)ethyl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is CGVCRGKWLSMNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN/c14-13-4-2-1-3-10(13)5-6-15-8-11-7-12(11)9-15/h1-4,11-12H,5-9H2.
What are the key properties of 3-[2-(2-bromophenyl)ethyl]-3-azabicyclo[3.1.0]hexane?
3-[2-(2-bromophenyl)ethyl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 266.18 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-bromophenyl)ethyl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 83825905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).