7-amino-1,2,3,4-tetrahydronaphthalen-2-ol

C10H13NO — CID 57416039

IUPAC7-amino-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESNc1ccc2c(c1)CC(O)CC2
InChIInChI=1S/C10H13NO/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1,3,5,10,12H,2,4,6,11H2
InChIKeyHOEQYIGFJVYAGY-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.12
Rot. Bonds

About 7-amino-1,2,3,4-tetrahydronaphthalen-2-ol

7-amino-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 57416039) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 7-amino-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name7-amino-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID57416039
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name7-amino-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESNc1ccc2c(c1)CC(O)CC2
InChIInChI=1S/C10H13NO/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1,3,5,10,12H,2,4,6,11H2
InChIKeyHOEQYIGFJVYAGY-UHFFFAOYSA-N
XLogP1.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of 7-amino-1,2,3,4-tetrahydronaphthalen-2-ol (CID 57416039) is 7-amino-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 7-amino-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for 7-amino-1,2,3,4-tetrahydronaphthalen-2-ol is Nc1ccc2c(c1)CC(O)CC2.
What is the InChIKey of 7-amino-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is HOEQYIGFJVYAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1,3,5,10,12H,2,4,6,11H2.
What are the key properties of 7-amino-1,2,3,4-tetrahydronaphthalen-2-ol?
7-amino-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 163.22 g/mol, XLogP of 1.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 57416039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).