2,6-dibromo-N-(cyclohex-3-en-1-ylmethyl)aniline

C13H15Br2N — CID 107597677

IUPAC2,6-dibromo-N-(cyclohex-3-en-1-ylmethyl)aniline
SMILESBrc1cccc(Br)c1NCC1CC=CCC1
InChIInChI=1S/C13H15Br2N/c14-11-7-4-8-12(15)13(11)16-9-10-5-2-1-3-6-10/h1-2,4,7-8,10,16H,3,5-6,9H2
InChIKeyYWQXREJWMGQFFS-UHFFFAOYSA-N
MW345.08 g/mol
LogP4.98
Rot. Bonds3

About 2,6-dibromo-N-(cyclohex-3-en-1-ylmethyl)aniline

2,6-dibromo-N-(cyclohex-3-en-1-ylmethyl)aniline (PubChem CID 107597677) has the molecular formula C13H15Br2N and a molecular weight of 345.08 g/mol. Its IUPAC name is 2,6-dibromo-N-(cyclohex-3-en-1-ylmethyl)aniline.

Molecular Properties

Compound Name2,6-dibromo-N-(cyclohex-3-en-1-ylmethyl)aniline
PubChem CID107597677
Molecular FormulaC13H15Br2N
Molecular Weight345.08 g/mol
Exact Mass342.96
IUPAC Name2,6-dibromo-N-(cyclohex-3-en-1-ylmethyl)aniline
SMILESBrc1cccc(Br)c1NCC1CC=CCC1
InChIInChI=1S/C13H15Br2N/c14-11-7-4-8-12(15)13(11)16-9-10-5-2-1-3-6-10/h1-2,4,7-8,10,16H,3,5-6,9H2
InChIKeyYWQXREJWMGQFFS-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.08
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(cyclohex-3-en-1-ylmethyl)-2,6-difluoroaniline
CID 65470058
3-bromo-N-(cyclohex-3-en-1-ylmethyl)pyridine-2-carboxamide
CID 107518869
2-bromo-N-(cyclohex-3-en-1-ylmethyl)benzamide
CID 47436865
4-bromo-N-(cyclohex-3-en-1-ylmethyl)-3-(trifluoromethyl)aniline
CID 43680365
5-bromo-N-(cyclohex-3-en-1-ylmethyl)pyrimidin-4-amine
CID 66320647
3-bromo-4-(cyclohex-3-en-1-ylmethylamino)benzenesulfonamide
CID 43745614
N-(cyclohex-3-en-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43102283
3-(cyclohex-3-en-1-ylmethylamino)benzonitrile
CID 43201265
N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylaniline
CID 43683283
1-(cyclohex-3-en-1-ylmethylamino)-2-phenylpropan-2-ol
CID 62373536
5-bromo-N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine
CID 130641123
2-bromo-6-fluoro-N-(oxan-4-ylmethyl)aniline
CID 104626192

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-(cyclohex-3-en-1-ylmethyl)aniline?
The IUPAC name of 2,6-dibromo-N-(cyclohex-3-en-1-ylmethyl)aniline (CID 107597677) is 2,6-dibromo-N-(cyclohex-3-en-1-ylmethyl)aniline.
What is the SMILES notation for 2,6-dibromo-N-(cyclohex-3-en-1-ylmethyl)aniline?
The canonical SMILES for 2,6-dibromo-N-(cyclohex-3-en-1-ylmethyl)aniline is Brc1cccc(Br)c1NCC1CC=CCC1.
What is the InChIKey of 2,6-dibromo-N-(cyclohex-3-en-1-ylmethyl)aniline?
The InChIKey is YWQXREJWMGQFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2N/c14-11-7-4-8-12(15)13(11)16-9-10-5-2-1-3-6-10/h1-2,4,7-8,10,16H,3,5-6,9H2.
What are the key properties of 2,6-dibromo-N-(cyclohex-3-en-1-ylmethyl)aniline?
2,6-dibromo-N-(cyclohex-3-en-1-ylmethyl)aniline has a molecular weight of 345.08 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-(cyclohex-3-en-1-ylmethyl)aniline is sourced from PubChem (CID 107597677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).