6-[(2-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-amine

C13H16BrN — CID 79330967

IUPAC6-[(2-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-amine
SMILESNC1(Cc2ccccc2Br)C2CCCC21
InChIInChI=1S/C13H16BrN/c14-12-7-2-1-4-9(12)8-13(15)10-5-3-6-11(10)13/h1-2,4,7,10-11H,3,5-6,8,15H2
InChIKeyXMOMEUNPUSAUBH-UHFFFAOYSA-N
MW266.18 g/mol
LogP3.12
Rot. Bonds2

About 6-[(2-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-amine

6-[(2-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-amine (PubChem CID 79330967) has the molecular formula C13H16BrN and a molecular weight of 266.18 g/mol. Its IUPAC name is 6-[(2-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name6-[(2-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-amine
PubChem CID79330967
Molecular FormulaC13H16BrN
Molecular Weight266.18 g/mol
Exact Mass265.05
IUPAC Name6-[(2-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-amine
SMILESNC1(Cc2ccccc2Br)C2CCCC21
InChIInChI=1S/C13H16BrN/c14-12-7-2-1-4-9(12)8-13(15)10-5-3-6-11(10)13/h1-2,4,7,10-11H,3,5-6,8,15H2
InChIKeyXMOMEUNPUSAUBH-UHFFFAOYSA-N
XLogP3.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-bromophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65080509
1-[(2-bromophenyl)methyl]cyclooctan-1-amine
CID 80603079
1-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine
CID 60799064
1-[(2-bromophenyl)methyl]-2-ethylcyclopropan-1-amine
CID 79333871
1-[(2-bromophenyl)methyl]-4-propylcycloheptan-1-amine
CID 65086943
[1-[(2-bromophenyl)methyl]-3-methylcyclohexyl]methanamine
CID 65394458
1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64733966
1-[(2-bromophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758604
1-[(2-bromophenyl)methyl]-3-ethylcyclopentan-1-amine
CID 64513879
3-[(2-bromophenyl)methyl]-3-fluorocyclopentan-1-amine
CID 112565613
2-[(2-bromophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine
CID 54919338
1-bromo-2-[(1-fluorocyclohexyl)methyl]benzene
CID 84730094

Frequently Asked Questions

What is the IUPAC name of 6-[(2-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-amine?
The IUPAC name of 6-[(2-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-amine (CID 79330967) is 6-[(2-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for 6-[(2-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for 6-[(2-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-amine is NC1(Cc2ccccc2Br)C2CCCC21.
What is the InChIKey of 6-[(2-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-amine?
The InChIKey is XMOMEUNPUSAUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN/c14-12-7-2-1-4-9(12)8-13(15)10-5-3-6-11(10)13/h1-2,4,7,10-11H,3,5-6,8,15H2.
What are the key properties of 6-[(2-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-amine?
6-[(2-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-amine has a molecular weight of 266.18 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 6-[(2-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 79330967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).