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

C9H11Cl2NO — CID 52988847

IUPAC6-chloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
SMILESCl.NC1CCOc2ccc(Cl)cc21
InChIInChI=1S/C9H10ClNO.ClH/c10-6-1-2-9-7(5-6)8(11)3-4-12-9;/h1-2,5,8H,3-4,11H2;1H
InChIKeyARFUFGWFRJZAHS-UHFFFAOYSA-N
MW220.10 g/mol
LogP2.54
Rot. Bonds

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

6-chloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride (PubChem CID 52988847) has the molecular formula C9H11Cl2NO and a molecular weight of 220.10 g/mol. Its IUPAC name is 6-chloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride.

Molecular Properties

Compound Name6-chloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
PubChem CID52988847
Molecular FormulaC9H11Cl2NO
Molecular Weight220.10 g/mol
Exact Mass219.02
IUPAC Name6-chloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
SMILESCl.NC1CCOc2ccc(Cl)cc21
InChIInChI=1S/C9H10ClNO.ClH/c10-6-1-2-9-7(5-6)8(11)3-4-12-9;/h1-2,5,8H,3-4,11H2;1H
InChIKeyARFUFGWFRJZAHS-UHFFFAOYSA-N
XLogP2.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The IUPAC name of 6-chloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride (CID 52988847) is 6-chloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride.
What is the SMILES notation for 6-chloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The canonical SMILES for 6-chloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride is Cl.NC1CCOc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The InChIKey is ARFUFGWFRJZAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO.ClH/c10-6-1-2-9-7(5-6)8(11)3-4-12-9;/h1-2,5,8H,3-4,11H2;1H.
What are the key properties of 6-chloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
6-chloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride has a molecular weight of 220.10 g/mol, XLogP of 2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride is sourced from PubChem (CID 52988847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).