6-(diethylamino)-1,2,3,4-tetrahydronaphthalen-1-ol

C14H21NO — CID 83822185

IUPAC6-(diethylamino)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCN(CC)c1ccc2c(c1)CCCC2O
InChIInChI=1S/C14H21NO/c1-3-15(4-2)12-8-9-13-11(10-12)6-5-7-14(13)16/h8-10,14,16H,3-7H2,1-2H3
InChIKeyYLHGBLKISGEBHZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.90
Rot. Bonds3

About 6-(diethylamino)-1,2,3,4-tetrahydronaphthalen-1-ol

6-(diethylamino)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 83822185) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 6-(diethylamino)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name6-(diethylamino)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID83822185
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name6-(diethylamino)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCN(CC)c1ccc2c(c1)CCCC2O
InChIInChI=1S/C14H21NO/c1-3-15(4-2)12-8-9-13-11(10-12)6-5-7-14(13)16/h8-10,14,16H,3-7H2,1-2H3
InChIKeyYLHGBLKISGEBHZ-UHFFFAOYSA-N
XLogP2.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 6-(diethylamino)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 83822185) is 6-(diethylamino)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 6-(diethylamino)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 6-(diethylamino)-1,2,3,4-tetrahydronaphthalen-1-ol is CCN(CC)c1ccc2c(c1)CCCC2O.
What is the InChIKey of 6-(diethylamino)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is YLHGBLKISGEBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-15(4-2)12-8-9-13-11(10-12)6-5-7-14(13)16/h8-10,14,16H,3-7H2,1-2H3.
What are the key properties of 6-(diethylamino)-1,2,3,4-tetrahydronaphthalen-1-ol?
6-(diethylamino)-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 83822185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).