4-bromo-1-ethylcyclohexa-2,4-dien-1-amine

C8H12BrN — CID 142788268

IUPAC4-bromo-1-ethylcyclohexa-2,4-dien-1-amine
SMILESCCC1(N)C=CC(Br)=CC1
InChIInChI=1S/C8H12BrN/c1-2-8(10)5-3-7(9)4-6-8/h3-5H,2,6,10H2,1H3
InChIKeyUULXGWKZVOZZLZ-UHFFFAOYSA-N
MW202.09 g/mol
LogP2.33
Rot. Bonds1

About 4-bromo-1-ethylcyclohexa-2,4-dien-1-amine

4-bromo-1-ethylcyclohexa-2,4-dien-1-amine (PubChem CID 142788268) has the molecular formula C8H12BrN and a molecular weight of 202.09 g/mol. Its IUPAC name is 4-bromo-1-ethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-bromo-1-ethylcyclohexa-2,4-dien-1-amine
PubChem CID142788268
Molecular FormulaC8H12BrN
Molecular Weight202.09 g/mol
Exact Mass201.02
IUPAC Name4-bromo-1-ethylcyclohexa-2,4-dien-1-amine
SMILESCCC1(N)C=CC(Br)=CC1
InChIInChI=1S/C8H12BrN/c1-2-8(10)5-3-7(9)4-6-8/h3-5H,2,6,10H2,1H3
InChIKeyUULXGWKZVOZZLZ-UHFFFAOYSA-N
XLogP2.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.09
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-bromo-1-ethylcyclohexa-2,4-dien-1-amine (CID 142788268) is 4-bromo-1-ethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-bromo-1-ethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-bromo-1-ethylcyclohexa-2,4-dien-1-amine is CCC1(N)C=CC(Br)=CC1.
What is the InChIKey of 4-bromo-1-ethylcyclohexa-2,4-dien-1-amine?
The InChIKey is UULXGWKZVOZZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN/c1-2-8(10)5-3-7(9)4-6-8/h3-5H,2,6,10H2,1H3.
What are the key properties of 4-bromo-1-ethylcyclohexa-2,4-dien-1-amine?
4-bromo-1-ethylcyclohexa-2,4-dien-1-amine has a molecular weight of 202.09 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 142788268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).