(1R)-1-(4-bromophenyl)-3-azabicyclo[3.1.0]hexane

C11H12BrN — CID 143307302

IUPAC(1R)-1-(4-bromophenyl)-3-azabicyclo[3.1.0]hexane
SMILESBrc1ccc([C@]23CNCC2C3)cc1
InChIInChI=1S/C11H12BrN/c12-10-3-1-8(2-4-10)11-5-9(11)6-13-7-11/h1-4,9,13H,5-7H2/t9?,11-/m0/s1
InChIKeyKHJRUTSPEDPIBP-UMJHXOGRSA-N
MW238.13 g/mol
LogP2.31
Rot. Bonds1

About (1R)-1-(4-bromophenyl)-3-azabicyclo[3.1.0]hexane

(1R)-1-(4-bromophenyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 143307302) has the molecular formula C11H12BrN and a molecular weight of 238.13 g/mol. Its IUPAC name is (1R)-1-(4-bromophenyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R)-1-(4-bromophenyl)-3-azabicyclo[3.1.0]hexane
PubChem CID143307302
Molecular FormulaC11H12BrN
Molecular Weight238.13 g/mol
Exact Mass237.02
IUPAC Name(1R)-1-(4-bromophenyl)-3-azabicyclo[3.1.0]hexane
SMILESBrc1ccc([C@]23CNCC2C3)cc1
InChIInChI=1S/C11H12BrN/c12-10-3-1-8(2-4-10)11-5-9(11)6-13-7-11/h1-4,9,13H,5-7H2/t9?,11-/m0/s1
InChIKeyKHJRUTSPEDPIBP-UMJHXOGRSA-N
XLogP2.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Bicifadine
CID 47953
1-Phenyl-3-azabicyclo[3.1.0]hexane
CID 10130094
2-(4-Bromophenyl)-7-azabicyclo[2.2.1]heptane
CID 44355477
1-Phenyl-3-azabicyclo[3.1.0]hexane hydrochloride
CID 12719843
6,6-Dimethyl-1-phenyl-3-aza-bicyclo[3.1.0]hexane
CID 44561134
US9670136, 26 N1-((trans)-2-(4-bromophenyl)cyclopropyl)cyclohexane-1,4-diamine
CID 90395381
Azetidine, 3-(p-bromophenyl)-
CID 23619
4-(4-Bromophenyl)-1,2,3,6-tetrahydropyridine
CID 18545468
4-(4-Bromophenyl)piperidine
CID 2757159
4-(3-Bromophenyl)piperidine
CID 21495201
1-(4-Bromophenyl)-3-azabicyclo[3.1.0]hexane hydrochloride
CID 12719872
(1S,5R)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane
CID 11715257

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromophenyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1R)-1-(4-bromophenyl)-3-azabicyclo[3.1.0]hexane (CID 143307302) is (1R)-1-(4-bromophenyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R)-1-(4-bromophenyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1R)-1-(4-bromophenyl)-3-azabicyclo[3.1.0]hexane is Brc1ccc([C@]23CNCC2C3)cc1.
What is the InChIKey of (1R)-1-(4-bromophenyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is KHJRUTSPEDPIBP-UMJHXOGRSA-N. The full InChI is InChI=1S/C11H12BrN/c12-10-3-1-8(2-4-10)11-5-9(11)6-13-7-11/h1-4,9,13H,5-7H2/t9?,11-/m0/s1.
What are the key properties of (1R)-1-(4-bromophenyl)-3-azabicyclo[3.1.0]hexane?
(1R)-1-(4-bromophenyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 238.13 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromophenyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 143307302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).