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

C13H19NO3 — CID 82159280

IUPAC3-(aminomethyl)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCOc1ccc(OC)c2c1CC(CN)CC2O
InChIInChI=1S/C13H19NO3/c1-16-11-3-4-12(17-2)13-9(11)5-8(7-14)6-10(13)15/h3-4,8,10,15H,5-7,14H2,1-2H3
InChIKeyQJXWCSCTRDFZDX-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.26
Rot. Bonds3

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

3-(aminomethyl)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 82159280) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(aminomethyl)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name3-(aminomethyl)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID82159280
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-(aminomethyl)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCOc1ccc(OC)c2c1CC(CN)CC2O
InChIInChI=1S/C13H19NO3/c1-16-11-3-4-12(17-2)13-9(11)5-8(7-14)6-10(13)15/h3-4,8,10,15H,5-7,14H2,1-2H3
InChIKeyQJXWCSCTRDFZDX-UHFFFAOYSA-N
XLogP1.26
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 3-(aminomethyl)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol (CID 82159280) is 3-(aminomethyl)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 3-(aminomethyl)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 3-(aminomethyl)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol is COc1ccc(OC)c2c1CC(CN)CC2O.
What is the InChIKey of 3-(aminomethyl)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is QJXWCSCTRDFZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-16-11-3-4-12(17-2)13-9(11)5-8(7-14)6-10(13)15/h3-4,8,10,15H,5-7,14H2,1-2H3.
What are the key properties of 3-(aminomethyl)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol?
3-(aminomethyl)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 237.30 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 82159280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).