3,5-dichloro-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)aniline

C16H15Cl2NO — CID 13246032

IUPAC3,5-dichloro-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)aniline
SMILESNc1cc(Cl)c(Oc2cccc3c2CCCC3)c(Cl)c1
InChIInChI=1S/C16H15Cl2NO/c17-13-8-11(19)9-14(18)16(13)20-15-7-3-5-10-4-1-2-6-12(10)15/h3,5,7-9H,1-2,4,6,19H2
InChIKeyRCEXGENBOADQEH-UHFFFAOYSA-N
MW308.21 g/mol
LogP5.25
Rot. Bonds2

About 3,5-dichloro-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)aniline

3,5-dichloro-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)aniline (PubChem CID 13246032) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is 3,5-dichloro-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)aniline.

Molecular Properties

Compound Name3,5-dichloro-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)aniline
PubChem CID13246032
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name3,5-dichloro-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)aniline
SMILESNc1cc(Cl)c(Oc2cccc3c2CCCC3)c(Cl)c1
InChIInChI=1S/C16H15Cl2NO/c17-13-8-11(19)9-14(18)16(13)20-15-7-3-5-10-4-1-2-6-12(10)15/h3,5,7-9H,1-2,4,6,19H2
InChIKeyRCEXGENBOADQEH-UHFFFAOYSA-N
XLogP5.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.21
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(2-chloro-4-nitrophenoxy)-1,2,3,4-tetrahydronaphthalene
CID 13245975
4-(2-bromo-5-chlorophenoxy)-2,3-dihydro-1H-indene
CID 171750794
4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 153201426
4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]aniline
CID 82092333
2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)pyrimidin-5-amine
CID 82299255
1-[4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine
CID 82304855
5-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 11310357
3,5-dichloro-4-(5-chloro-2-methylphenoxy)aniline
CID 106891037
5-bromo-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrimidine
CID 133342648
[6-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-pyridinyl]methanamine
CID 116820253
4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethylsulfanyl]aniline
CID 39422790
2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanethioamide
CID 82083468

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)aniline?
The IUPAC name of 3,5-dichloro-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)aniline (CID 13246032) is 3,5-dichloro-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)aniline.
What is the SMILES notation for 3,5-dichloro-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)aniline?
The canonical SMILES for 3,5-dichloro-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)aniline is Nc1cc(Cl)c(Oc2cccc3c2CCCC3)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)aniline?
The InChIKey is RCEXGENBOADQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c17-13-8-11(19)9-14(18)16(13)20-15-7-3-5-10-4-1-2-6-12(10)15/h3,5,7-9H,1-2,4,6,19H2.
What are the key properties of 3,5-dichloro-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)aniline?
3,5-dichloro-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)aniline has a molecular weight of 308.21 g/mol, XLogP of 5.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)aniline is sourced from PubChem (CID 13246032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).