3-(2-hydroxyethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol

C14H21NO4 — CID 3029499

IUPAC3-(2-hydroxyethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCOc1ccc(OC)c2c1CC(O)C(NCCO)C2
InChIInChI=1S/C14H21NO4/c1-18-13-3-4-14(19-2)10-8-12(17)11(7-9(10)13)15-5-6-16/h3-4,11-12,15-17H,5-8H2,1-2H3
InChIKeyPRAIAOIMWAAPRN-UHFFFAOYSA-N
MW267.32 g/mol
LogP0.11
Rot. Bonds5

About 3-(2-hydroxyethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol

3-(2-hydroxyethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 3029499) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 3-(2-hydroxyethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name3-(2-hydroxyethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID3029499
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name3-(2-hydroxyethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCOc1ccc(OC)c2c1CC(O)C(NCCO)C2
InChIInChI=1S/C14H21NO4/c1-18-13-3-4-14(19-2)10-8-12(17)11(7-9(10)13)15-5-6-16/h3-4,11-12,15-17H,5-8H2,1-2H3
InChIKeyPRAIAOIMWAAPRN-UHFFFAOYSA-N
XLogP0.11
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of 3-(2-hydroxyethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol (CID 3029499) is 3-(2-hydroxyethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 3-(2-hydroxyethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for 3-(2-hydroxyethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol is COc1ccc(OC)c2c1CC(O)C(NCCO)C2.
What is the InChIKey of 3-(2-hydroxyethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is PRAIAOIMWAAPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-18-13-3-4-14(19-2)10-8-12(17)11(7-9(10)13)15-5-6-16/h3-4,11-12,15-17H,5-8H2,1-2H3.
What are the key properties of 3-(2-hydroxyethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol?
3-(2-hydroxyethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 267.32 g/mol, XLogP of 0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 3029499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).