(1S)-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine

C10H11Cl2N — CID 51441576

IUPAC(1S)-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESN[C@H]1CCCc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C10H11Cl2N/c11-6-4-8-7(9(12)5-6)2-1-3-10(8)13/h4-5,10H,1-3,13H2/t10-/m0/s1
InChIKeyZDKDCHIVZVZNMV-JTQLQIEISA-N
MW216.11 g/mol
LogP3.33
Rot. Bonds

About (1S)-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine

(1S)-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 51441576) has the molecular formula C10H11Cl2N and a molecular weight of 216.11 g/mol. Its IUPAC name is (1S)-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1S)-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID51441576
Molecular FormulaC10H11Cl2N
Molecular Weight216.11 g/mol
Exact Mass215.03
IUPAC Name(1S)-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESN[C@H]1CCCc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C10H11Cl2N/c11-6-4-8-7(9(12)5-6)2-1-3-10(8)13/h4-5,10H,1-3,13H2/t10-/m0/s1
InChIKeyZDKDCHIVZVZNMV-JTQLQIEISA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1S)-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine (CID 51441576) is (1S)-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1S)-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1S)-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine is N[C@H]1CCCc2c(Cl)cc(Cl)cc21.
What is the InChIKey of (1S)-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is ZDKDCHIVZVZNMV-JTQLQIEISA-N. The full InChI is InChI=1S/C10H11Cl2N/c11-6-4-8-7(9(12)5-6)2-1-3-10(8)13/h4-5,10H,1-3,13H2/t10-/m0/s1.
What are the key properties of (1S)-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine?
(1S)-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 216.11 g/mol, XLogP of 3.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 51441576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).