5-bromo-3,4-dihydro-2H-chromen-3-amine;hydrochloride

C9H11BrClNO — CID 126809450

IUPAC5-bromo-3,4-dihydro-2H-chromen-3-amine;hydrochloride
SMILESCl.NC1COc2cccc(Br)c2C1
InChIInChI=1S/C9H10BrNO.ClH/c10-8-2-1-3-9-7(8)4-6(11)5-12-9;/h1-3,6H,4-5,11H2;1H
InChIKeyYNVCAKLYXAEZFV-UHFFFAOYSA-N
MW264.55 g/mol
LogP2.13
Rot. Bonds

About 5-bromo-3,4-dihydro-2H-chromen-3-amine;hydrochloride

5-bromo-3,4-dihydro-2H-chromen-3-amine;hydrochloride (PubChem CID 126809450) has the molecular formula C9H11BrClNO and a molecular weight of 264.55 g/mol. Its IUPAC name is 5-bromo-3,4-dihydro-2H-chromen-3-amine;hydrochloride.

Molecular Properties

Compound Name5-bromo-3,4-dihydro-2H-chromen-3-amine;hydrochloride
PubChem CID126809450
Molecular FormulaC9H11BrClNO
Molecular Weight264.55 g/mol
Exact Mass262.97
IUPAC Name5-bromo-3,4-dihydro-2H-chromen-3-amine;hydrochloride
SMILESCl.NC1COc2cccc(Br)c2C1
InChIInChI=1S/C9H10BrNO.ClH/c10-8-2-1-3-9-7(8)4-6(11)5-12-9;/h1-3,6H,4-5,11H2;1H
InChIKeyYNVCAKLYXAEZFV-UHFFFAOYSA-N
XLogP2.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.55
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
The IUPAC name of 5-bromo-3,4-dihydro-2H-chromen-3-amine;hydrochloride (CID 126809450) is 5-bromo-3,4-dihydro-2H-chromen-3-amine;hydrochloride.
What is the SMILES notation for 5-bromo-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
The canonical SMILES for 5-bromo-3,4-dihydro-2H-chromen-3-amine;hydrochloride is Cl.NC1COc2cccc(Br)c2C1.
What is the InChIKey of 5-bromo-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
The InChIKey is YNVCAKLYXAEZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO.ClH/c10-8-2-1-3-9-7(8)4-6(11)5-12-9;/h1-3,6H,4-5,11H2;1H.
What are the key properties of 5-bromo-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
5-bromo-3,4-dihydro-2H-chromen-3-amine;hydrochloride has a molecular weight of 264.55 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,4-dihydro-2H-chromen-3-amine;hydrochloride is sourced from PubChem (CID 126809450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).