5,6-dichloro-1,2,3,4-tetrahydronaphthalen-2-amine

C10H11Cl2N — CID 54102922

IUPAC5,6-dichloro-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESNC1CCc2c(ccc(Cl)c2Cl)C1
InChIInChI=1S/C10H11Cl2N/c11-9-4-1-6-5-7(13)2-3-8(6)10(9)12/h1,4,7H,2-3,5,13H2
InChIKeyNBTRHBARHPXSCA-UHFFFAOYSA-N
MW216.11 g/mol
LogP2.81
Rot. Bonds

About 5,6-dichloro-1,2,3,4-tetrahydronaphthalen-2-amine

5,6-dichloro-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 54102922) has the molecular formula C10H11Cl2N and a molecular weight of 216.11 g/mol. Its IUPAC name is 5,6-dichloro-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name5,6-dichloro-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID54102922
Molecular FormulaC10H11Cl2N
Molecular Weight216.11 g/mol
Exact Mass215.03
IUPAC Name5,6-dichloro-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESNC1CCc2c(ccc(Cl)c2Cl)C1
InChIInChI=1S/C10H11Cl2N/c11-9-4-1-6-5-7(13)2-3-8(6)10(9)12/h1,4,7H,2-3,5,13H2
InChIKeyNBTRHBARHPXSCA-UHFFFAOYSA-N
XLogP2.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.11
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 5,6-dichloro-1,2,3,4-tetrahydronaphthalen-2-amine (CID 54102922) is 5,6-dichloro-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 5,6-dichloro-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 5,6-dichloro-1,2,3,4-tetrahydronaphthalen-2-amine is NC1CCc2c(ccc(Cl)c2Cl)C1.
What is the InChIKey of 5,6-dichloro-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is NBTRHBARHPXSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N/c11-9-4-1-6-5-7(13)2-3-8(6)10(9)12/h1,4,7H,2-3,5,13H2.
What are the key properties of 5,6-dichloro-1,2,3,4-tetrahydronaphthalen-2-amine?
5,6-dichloro-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 216.11 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 54102922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).