(5-bromo-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanamine

C9H10BrN — CID 105465700

IUPAC(5-bromo-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanamine
SMILESNCC1Cc2cccc(Br)c21
InChIInChI=1S/C9H10BrN/c10-8-3-1-2-6-4-7(5-11)9(6)8/h1-3,7H,4-5,11H2
InChIKeyQGKHSNVCQICURH-UHFFFAOYSA-N
MW212.09 g/mol
LogP2.05
Rot. Bonds1

About (5-bromo-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanamine

(5-bromo-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanamine (PubChem CID 105465700) has the molecular formula C9H10BrN and a molecular weight of 212.09 g/mol. Its IUPAC name is (5-bromo-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanamine.

Molecular Properties

Compound Name(5-bromo-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanamine
PubChem CID105465700
Molecular FormulaC9H10BrN
Molecular Weight212.09 g/mol
Exact Mass211.00
IUPAC Name(5-bromo-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanamine
SMILESNCC1Cc2cccc(Br)c21
InChIInChI=1S/C9H10BrN/c10-8-3-1-2-6-4-7(5-11)9(6)8/h1-3,7H,4-5,11H2
InChIKeyQGKHSNVCQICURH-UHFFFAOYSA-N
XLogP2.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.09
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(7-bromo-2,3-dihydro-1H-inden-1-yl)ethanamine
CID 83843148
(5-bromo-3,4-dihydro-2H-chromen-4-yl)methanamine
CID 105422199
(5-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 84635120
(1R)-8-bromo-1,2,3,4-tetrahydronaphthalen-1-amine
CID 86328574
[(1R)-1,2-dihydroacenaphthylen-1-yl]methanamine
CID 92976167
2-(4-bromo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine
CID 117199847
4-bromo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 130067141
(9-bromo-2,3,4,5-tetrahydro-1-benzothiepin-4-yl)methanamine
CID 82379033
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3-bromophenyl]methanamine
CID 66418101
(8-bromo-3,4-dihydro-2H-chromen-4-yl)methanamine
CID 82387181
(1S)-7-bromo-2,3-dihydro-1H-inden-1-ol
CID 129246818
8-aminobicyclo[4.2.0]octa-1(6),2,4-trien-2-ol
CID 105427855

Frequently Asked Questions

What is the IUPAC name of (5-bromo-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanamine?
The IUPAC name of (5-bromo-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanamine (CID 105465700) is (5-bromo-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanamine.
What is the SMILES notation for (5-bromo-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanamine?
The canonical SMILES for (5-bromo-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanamine is NCC1Cc2cccc(Br)c21.
What is the InChIKey of (5-bromo-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanamine?
The InChIKey is QGKHSNVCQICURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN/c10-8-3-1-2-6-4-7(5-11)9(6)8/h1-3,7H,4-5,11H2.
What are the key properties of (5-bromo-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanamine?
(5-bromo-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanamine has a molecular weight of 212.09 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanamine is sourced from PubChem (CID 105465700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).