6-anilino-5,6,7,8-tetrahydronaphthalen-2-ol

C16H17NO — CID 23635616

IUPAC6-anilino-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc2c(c1)CCC(Nc1ccccc1)C2
InChIInChI=1S/C16H17NO/c18-16-9-7-12-10-15(8-6-13(12)11-16)17-14-4-2-1-3-5-14/h1-5,7,9,11,15,17-18H,6,8,10H2
InChIKeyKKTQSDKTTQRMRD-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.36
Rot. Bonds2

About 6-anilino-5,6,7,8-tetrahydronaphthalen-2-ol

6-anilino-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 23635616) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 6-anilino-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name6-anilino-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID23635616
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name6-anilino-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc2c(c1)CCC(Nc1ccccc1)C2
InChIInChI=1S/C16H17NO/c18-16-9-7-12-10-15(8-6-13(12)11-16)17-14-4-2-1-3-5-14/h1-5,7,9,11,15,17-18H,6,8,10H2
InChIKeyKKTQSDKTTQRMRD-UHFFFAOYSA-N
XLogP3.36
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-anilino-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 6-anilino-5,6,7,8-tetrahydronaphthalen-2-ol (CID 23635616) is 6-anilino-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 6-anilino-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 6-anilino-5,6,7,8-tetrahydronaphthalen-2-ol is Oc1ccc2c(c1)CCC(Nc1ccccc1)C2.
What is the InChIKey of 6-anilino-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is KKTQSDKTTQRMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c18-16-9-7-12-10-15(8-6-13(12)11-16)17-14-4-2-1-3-5-14/h1-5,7,9,11,15,17-18H,6,8,10H2.
What are the key properties of 6-anilino-5,6,7,8-tetrahydronaphthalen-2-ol?
6-anilino-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 239.32 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 23635616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).