3-(2-methylpropylamino)-1,2,3,4-tetrahydroquinolin-7-ol

C13H20N2O — CID 105476290

IUPAC3-(2-methylpropylamino)-1,2,3,4-tetrahydroquinolin-7-ol
SMILESCC(C)CNC1CNc2cc(O)ccc2C1
InChIInChI=1S/C13H20N2O/c1-9(2)7-14-11-5-10-3-4-12(16)6-13(10)15-8-11/h3-4,6,9,11,14-16H,5,7-8H2,1-2H3
InChIKeyHSIVUDLJGSXKFI-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.97
Rot. Bonds3

About 3-(2-methylpropylamino)-1,2,3,4-tetrahydroquinolin-7-ol

3-(2-methylpropylamino)-1,2,3,4-tetrahydroquinolin-7-ol (PubChem CID 105476290) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(2-methylpropylamino)-1,2,3,4-tetrahydroquinolin-7-ol.

Molecular Properties

Compound Name3-(2-methylpropylamino)-1,2,3,4-tetrahydroquinolin-7-ol
PubChem CID105476290
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-(2-methylpropylamino)-1,2,3,4-tetrahydroquinolin-7-ol
SMILESCC(C)CNC1CNc2cc(O)ccc2C1
InChIInChI=1S/C13H20N2O/c1-9(2)7-14-11-5-10-3-4-12(16)6-13(10)15-8-11/h3-4,6,9,11,14-16H,5,7-8H2,1-2H3
InChIKeyHSIVUDLJGSXKFI-UHFFFAOYSA-N
XLogP1.97
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropylamino)-1,2,3,4-tetrahydroquinolin-7-ol?
The IUPAC name of 3-(2-methylpropylamino)-1,2,3,4-tetrahydroquinolin-7-ol (CID 105476290) is 3-(2-methylpropylamino)-1,2,3,4-tetrahydroquinolin-7-ol.
What is the SMILES notation for 3-(2-methylpropylamino)-1,2,3,4-tetrahydroquinolin-7-ol?
The canonical SMILES for 3-(2-methylpropylamino)-1,2,3,4-tetrahydroquinolin-7-ol is CC(C)CNC1CNc2cc(O)ccc2C1.
What is the InChIKey of 3-(2-methylpropylamino)-1,2,3,4-tetrahydroquinolin-7-ol?
The InChIKey is HSIVUDLJGSXKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9(2)7-14-11-5-10-3-4-12(16)6-13(10)15-8-11/h3-4,6,9,11,14-16H,5,7-8H2,1-2H3.
What are the key properties of 3-(2-methylpropylamino)-1,2,3,4-tetrahydroquinolin-7-ol?
3-(2-methylpropylamino)-1,2,3,4-tetrahydroquinolin-7-ol has a molecular weight of 220.32 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropylamino)-1,2,3,4-tetrahydroquinolin-7-ol is sourced from PubChem (CID 105476290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).