3-[(3-bromophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine

C12H15BrN2 — CID 115009427

IUPAC3-[(3-bromophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine
SMILESNC1C2CN(Cc3cccc(Br)c3)CC12
InChIInChI=1S/C12H15BrN2/c13-9-3-1-2-8(4-9)5-15-6-10-11(7-15)12(10)14/h1-4,10-12H,5-7,14H2
InChIKeyJPTNTVROXXLEIH-UHFFFAOYSA-N
MW267.17 g/mol
LogP1.84
Rot. Bonds2

About 3-[(3-bromophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine

3-[(3-bromophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 115009427) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name3-[(3-bromophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID115009427
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name3-[(3-bromophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine
SMILESNC1C2CN(Cc3cccc(Br)c3)CC12
InChIInChI=1S/C12H15BrN2/c13-9-3-1-2-8(4-9)5-15-6-10-11(7-15)12(10)14/h1-4,10-12H,5-7,14H2
InChIKeyJPTNTVROXXLEIH-UHFFFAOYSA-N
XLogP1.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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[(3R,4R)-1-[(3-bromophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120769822
4-[(3-bromophenyl)methyl]morpholine;hydrochloride
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CID 172647705
1-[(3-bromophenyl)methyl]-4-(chloromethyl)piperidine
CID 63387610
[1-[(3-bromophenyl)methyl]piperidin-4-yl]methanesulfonamide
CID 75473118
1-[(3-bromophenyl)methyl]-3-methyl-1,4-diazepane
CID 64859026
2-[(3-bromophenyl)methyl]-2-azabicyclo[2.1.1]hexane
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1-[(3-bromophenyl)methyl]-4,4-dimethylpiperidine
CID 63457847

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of 3-[(3-bromophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine (CID 115009427) is 3-[(3-bromophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for 3-[(3-bromophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for 3-[(3-bromophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine is NC1C2CN(Cc3cccc(Br)c3)CC12.
What is the InChIKey of 3-[(3-bromophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is JPTNTVROXXLEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c13-9-3-1-2-8(4-9)5-15-6-10-11(7-15)12(10)14/h1-4,10-12H,5-7,14H2.
What are the key properties of 3-[(3-bromophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine?
3-[(3-bromophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 267.17 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 115009427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).