6,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride

C9H10Cl3NO — CID 71432692

IUPAC6,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
SMILESCl.NC1CCOc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C9H9Cl2NO.ClH/c10-5-3-6-8(12)1-2-13-9(6)7(11)4-5;/h3-4,8H,1-2,12H2;1H
InChIKeyDMUPRINIJPDGQI-UHFFFAOYSA-N
MW254.54 g/mol
LogP3.20
Rot. Bonds

About 6,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride

6,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride (PubChem CID 71432692) has the molecular formula C9H10Cl3NO and a molecular weight of 254.54 g/mol. Its IUPAC name is 6,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride.

Molecular Properties

Compound Name6,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
PubChem CID71432692
Molecular FormulaC9H10Cl3NO
Molecular Weight254.54 g/mol
Exact Mass252.98
IUPAC Name6,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
SMILESCl.NC1CCOc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C9H9Cl2NO.ClH/c10-5-3-6-8(12)1-2-13-9(6)7(11)4-5;/h3-4,8H,1-2,12H2;1H
InChIKeyDMUPRINIJPDGQI-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.54
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The IUPAC name of 6,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride (CID 71432692) is 6,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride.
What is the SMILES notation for 6,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The canonical SMILES for 6,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride is Cl.NC1CCOc2c(Cl)cc(Cl)cc21.
What is the InChIKey of 6,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The InChIKey is DMUPRINIJPDGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO.ClH/c10-5-3-6-8(12)1-2-13-9(6)7(11)4-5;/h3-4,8H,1-2,12H2;1H.
What are the key properties of 6,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
6,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride has a molecular weight of 254.54 g/mol, XLogP of 3.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride is sourced from PubChem (CID 71432692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).