4-bromo-N,N-dimethylcyclohexa-1,3-dien-1-amine

C8H12BrN — CID 142309024

IUPAC4-bromo-N,N-dimethylcyclohexa-1,3-dien-1-amine
SMILESCN(C)C1=CC=C(Br)CC1
InChIInChI=1S/C8H12BrN/c1-10(2)8-5-3-7(9)4-6-8/h3,5H,4,6H2,1-2H3
InChIKeyOYOCSRIHYHRUJV-UHFFFAOYSA-N
MW202.09 g/mol
LogP2.50
Rot. Bonds1

About 4-bromo-N,N-dimethylcyclohexa-1,3-dien-1-amine

4-bromo-N,N-dimethylcyclohexa-1,3-dien-1-amine (PubChem CID 142309024) has the molecular formula C8H12BrN and a molecular weight of 202.09 g/mol. Its IUPAC name is 4-bromo-N,N-dimethylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-bromo-N,N-dimethylcyclohexa-1,3-dien-1-amine
PubChem CID142309024
Molecular FormulaC8H12BrN
Molecular Weight202.09 g/mol
Exact Mass201.02
IUPAC Name4-bromo-N,N-dimethylcyclohexa-1,3-dien-1-amine
SMILESCN(C)C1=CC=C(Br)CC1
InChIInChI=1S/C8H12BrN/c1-10(2)8-5-3-7(9)4-6-8/h3,5H,4,6H2,1-2H3
InChIKeyOYOCSRIHYHRUJV-UHFFFAOYSA-N
XLogP2.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.09
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-dimethylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-bromo-N,N-dimethylcyclohexa-1,3-dien-1-amine (CID 142309024) is 4-bromo-N,N-dimethylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-bromo-N,N-dimethylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-bromo-N,N-dimethylcyclohexa-1,3-dien-1-amine is CN(C)C1=CC=C(Br)CC1.
What is the InChIKey of 4-bromo-N,N-dimethylcyclohexa-1,3-dien-1-amine?
The InChIKey is OYOCSRIHYHRUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN/c1-10(2)8-5-3-7(9)4-6-8/h3,5H,4,6H2,1-2H3.
What are the key properties of 4-bromo-N,N-dimethylcyclohexa-1,3-dien-1-amine?
4-bromo-N,N-dimethylcyclohexa-1,3-dien-1-amine has a molecular weight of 202.09 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-dimethylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 142309024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).