3-(5-amino-5,6,7,8-tetrahydroquinolin-2-yl)phenol

C15H16N2O — CID 84702007

IUPAC3-(5-amino-5,6,7,8-tetrahydroquinolin-2-yl)phenol
SMILESNC1CCCc2nc(-c3cccc(O)c3)ccc21
InChIInChI=1S/C15H16N2O/c16-13-5-2-6-15-12(13)7-8-14(17-15)10-3-1-4-11(18)9-10/h1,3-4,7-9,13,18H,2,5-6,16H2
InChIKeyHUCUZPBACHMUQC-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.79
Rot. Bonds1

About 3-(5-amino-5,6,7,8-tetrahydroquinolin-2-yl)phenol

3-(5-amino-5,6,7,8-tetrahydroquinolin-2-yl)phenol (PubChem CID 84702007) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-(5-amino-5,6,7,8-tetrahydroquinolin-2-yl)phenol.

Molecular Properties

Compound Name3-(5-amino-5,6,7,8-tetrahydroquinolin-2-yl)phenol
PubChem CID84702007
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name3-(5-amino-5,6,7,8-tetrahydroquinolin-2-yl)phenol
SMILESNC1CCCc2nc(-c3cccc(O)c3)ccc21
InChIInChI=1S/C15H16N2O/c16-13-5-2-6-15-12(13)7-8-14(17-15)10-3-1-4-11(18)9-10/h1,3-4,7-9,13,18H,2,5-6,16H2
InChIKeyHUCUZPBACHMUQC-UHFFFAOYSA-N
XLogP2.79
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-5,6,7,8-tetrahydroquinolin-2-yl)phenol?
The IUPAC name of 3-(5-amino-5,6,7,8-tetrahydroquinolin-2-yl)phenol (CID 84702007) is 3-(5-amino-5,6,7,8-tetrahydroquinolin-2-yl)phenol.
What is the SMILES notation for 3-(5-amino-5,6,7,8-tetrahydroquinolin-2-yl)phenol?
The canonical SMILES for 3-(5-amino-5,6,7,8-tetrahydroquinolin-2-yl)phenol is NC1CCCc2nc(-c3cccc(O)c3)ccc21.
What is the InChIKey of 3-(5-amino-5,6,7,8-tetrahydroquinolin-2-yl)phenol?
The InChIKey is HUCUZPBACHMUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c16-13-5-2-6-15-12(13)7-8-14(17-15)10-3-1-4-11(18)9-10/h1,3-4,7-9,13,18H,2,5-6,16H2.
What are the key properties of 3-(5-amino-5,6,7,8-tetrahydroquinolin-2-yl)phenol?
3-(5-amino-5,6,7,8-tetrahydroquinolin-2-yl)phenol has a molecular weight of 240.31 g/mol, XLogP of 2.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-5,6,7,8-tetrahydroquinolin-2-yl)phenol is sourced from PubChem (CID 84702007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).