5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride

C10H12Cl3N — CID 71432271

IUPAC5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
SMILESCl.NC1CCCc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C10H11Cl2N.ClH/c11-6-4-8-7(9(12)5-6)2-1-3-10(8)13;/h4-5,10H,1-3,13H2;1H
InChIKeyBZDCLULVGFYOCY-UHFFFAOYSA-N
MW252.57 g/mol
LogP3.75
Rot. Bonds

About 5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride

5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride (PubChem CID 71432271) has the molecular formula C10H12Cl3N and a molecular weight of 252.57 g/mol. Its IUPAC name is 5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride.

Molecular Properties

Compound Name5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
PubChem CID71432271
Molecular FormulaC10H12Cl3N
Molecular Weight252.57 g/mol
Exact Mass251.00
IUPAC Name5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
SMILESCl.NC1CCCc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C10H11Cl2N.ClH/c11-6-4-8-7(9(12)5-6)2-1-3-10(8)13;/h4-5,10H,1-3,13H2;1H
InChIKeyBZDCLULVGFYOCY-UHFFFAOYSA-N
XLogP3.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.57
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The IUPAC name of 5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride (CID 71432271) is 5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride.
What is the SMILES notation for 5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The canonical SMILES for 5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride is Cl.NC1CCCc2c(Cl)cc(Cl)cc21.
What is the InChIKey of 5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The InChIKey is BZDCLULVGFYOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N.ClH/c11-6-4-8-7(9(12)5-6)2-1-3-10(8)13;/h4-5,10H,1-3,13H2;1H.
What are the key properties of 5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride has a molecular weight of 252.57 g/mol, XLogP of 3.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride is sourced from PubChem (CID 71432271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).