5-bromo-2-methoxycyclohexa-1,5-dien-1-amine

C7H10BrNO — CID 167216188

IUPAC5-bromo-2-methoxycyclohexa-1,5-dien-1-amine
SMILESCOC1=C(N)C=C(Br)CC1
InChIInChI=1S/C7H10BrNO/c1-10-7-3-2-5(8)4-6(7)9/h4H,2-3,9H2,1H3
InChIKeyGFUAOGRGOMXEKI-UHFFFAOYSA-N
MW204.07 g/mol
LogP1.88
Rot. Bonds1

About 5-bromo-2-methoxycyclohexa-1,5-dien-1-amine

5-bromo-2-methoxycyclohexa-1,5-dien-1-amine (PubChem CID 167216188) has the molecular formula C7H10BrNO and a molecular weight of 204.07 g/mol. Its IUPAC name is 5-bromo-2-methoxycyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name5-bromo-2-methoxycyclohexa-1,5-dien-1-amine
PubChem CID167216188
Molecular FormulaC7H10BrNO
Molecular Weight204.07 g/mol
Exact Mass202.99
IUPAC Name5-bromo-2-methoxycyclohexa-1,5-dien-1-amine
SMILESCOC1=C(N)C=C(Br)CC1
InChIInChI=1S/C7H10BrNO/c1-10-7-3-2-5(8)4-6(7)9/h4H,2-3,9H2,1H3
InChIKeyGFUAOGRGOMXEKI-UHFFFAOYSA-N
XLogP1.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxycyclohexa-1,5-dien-1-amine?
The IUPAC name of 5-bromo-2-methoxycyclohexa-1,5-dien-1-amine (CID 167216188) is 5-bromo-2-methoxycyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 5-bromo-2-methoxycyclohexa-1,5-dien-1-amine?
The canonical SMILES for 5-bromo-2-methoxycyclohexa-1,5-dien-1-amine is COC1=C(N)C=C(Br)CC1.
What is the InChIKey of 5-bromo-2-methoxycyclohexa-1,5-dien-1-amine?
The InChIKey is GFUAOGRGOMXEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNO/c1-10-7-3-2-5(8)4-6(7)9/h4H,2-3,9H2,1H3.
What are the key properties of 5-bromo-2-methoxycyclohexa-1,5-dien-1-amine?
5-bromo-2-methoxycyclohexa-1,5-dien-1-amine has a molecular weight of 204.07 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxycyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 167216188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).