3-[1-(4-bromophenyl)cyclopropyl]azetidine;hydrochloride

C12H15BrClN — CID 155819891

IUPAC3-[1-(4-bromophenyl)cyclopropyl]azetidine;hydrochloride
SMILESBrc1ccc(C2(C3CNC3)CC2)cc1.Cl
InChIInChI=1S/C12H14BrN.ClH/c13-11-3-1-9(2-4-11)12(5-6-12)10-7-14-8-10;/h1-4,10,14H,5-8H2;1H
InChIKeyUDUNTAULTKPGCE-UHFFFAOYSA-N
MW288.62 g/mol
LogP3.12
Rot. Bonds2

About 3-[1-(4-bromophenyl)cyclopropyl]azetidine;hydrochloride

3-[1-(4-bromophenyl)cyclopropyl]azetidine;hydrochloride (PubChem CID 155819891) has the molecular formula C12H15BrClN and a molecular weight of 288.62 g/mol. Its IUPAC name is 3-[1-(4-bromophenyl)cyclopropyl]azetidine;hydrochloride.

Molecular Properties

Compound Name3-[1-(4-bromophenyl)cyclopropyl]azetidine;hydrochloride
PubChem CID155819891
Molecular FormulaC12H15BrClN
Molecular Weight288.62 g/mol
Exact Mass287.01
IUPAC Name3-[1-(4-bromophenyl)cyclopropyl]azetidine;hydrochloride
SMILESBrc1ccc(C2(C3CNC3)CC2)cc1.Cl
InChIInChI=1S/C12H14BrN.ClH/c13-11-3-1-9(2-4-11)12(5-6-12)10-7-14-8-10;/h1-4,10,14H,5-8H2;1H
InChIKeyUDUNTAULTKPGCE-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.62
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1S,2S)-2-(2-bromophenyl)cyclopropyl]methanamine hydrochloride, trans
CID 44572750
[2-(4-Bromophenyl)ethyl](methyl)amine
CID 18367556
rac-(1R,2S)-2-(4-bromophenyl)cyclopropan-1-amine hydrochloride
CID 56683886
[2-(2-Bromophenyl)cyclopropyl]methanamine;hydrochloride
CID 16047543
trans-(+/-)-2-(2-Bromo-phenyl)-cyclopropylmethylamine hydrochloride
CID 44572752
1-[(1S,2S)-2-(3-bromophenyl)cyclopropyl]methanamine hydrochloride, trans
CID 25084024
1-[(1S,2S)-2-(4-bromophenyl)cyclopropyl]methanamine hydrochloride, trans
CID 44573001
(1R,2S)-2-(4-Bromophenyl)cyclopropan-1-amine
CID 36217788
(1S,2R)-2-(4-Bromophenyl)cyclopropan-1-amine
CID 39243042
4-(4-Bromophenyl)-1,2,3,6-tetrahydropyridine hydrochloride
CID 53407847
3-[(4-Bromophenyl)-difluoro-methyl]azetidine
CID 105514406
Azetidine, 3-(p-bromophenyl)-
CID 23619

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-bromophenyl)cyclopropyl]azetidine;hydrochloride?
The IUPAC name of 3-[1-(4-bromophenyl)cyclopropyl]azetidine;hydrochloride (CID 155819891) is 3-[1-(4-bromophenyl)cyclopropyl]azetidine;hydrochloride.
What is the SMILES notation for 3-[1-(4-bromophenyl)cyclopropyl]azetidine;hydrochloride?
The canonical SMILES for 3-[1-(4-bromophenyl)cyclopropyl]azetidine;hydrochloride is Brc1ccc(C2(C3CNC3)CC2)cc1.Cl.
What is the InChIKey of 3-[1-(4-bromophenyl)cyclopropyl]azetidine;hydrochloride?
The InChIKey is UDUNTAULTKPGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN.ClH/c13-11-3-1-9(2-4-11)12(5-6-12)10-7-14-8-10;/h1-4,10,14H,5-8H2;1H.
What are the key properties of 3-[1-(4-bromophenyl)cyclopropyl]azetidine;hydrochloride?
3-[1-(4-bromophenyl)cyclopropyl]azetidine;hydrochloride has a molecular weight of 288.62 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-bromophenyl)cyclopropyl]azetidine;hydrochloride is sourced from PubChem (CID 155819891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).