7-methoxy-2-(methylaminomethyl)-3,4-dihydro-1H-naphthalen-2-ol

C13H19NO2 — CID 115511135

IUPAC7-methoxy-2-(methylaminomethyl)-3,4-dihydro-1H-naphthalen-2-ol
SMILESCNCC1(O)CCc2ccc(OC)cc2C1
InChIInChI=1S/C13H19NO2/c1-14-9-13(15)6-5-10-3-4-12(16-2)7-11(10)8-13/h3-4,7,14-15H,5-6,8-9H2,1-2H3
InChIKeyFKCNQERATPYZAV-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.13
Rot. Bonds3

About 7-methoxy-2-(methylaminomethyl)-3,4-dihydro-1H-naphthalen-2-ol

7-methoxy-2-(methylaminomethyl)-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 115511135) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 7-methoxy-2-(methylaminomethyl)-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name7-methoxy-2-(methylaminomethyl)-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID115511135
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name7-methoxy-2-(methylaminomethyl)-3,4-dihydro-1H-naphthalen-2-ol
SMILESCNCC1(O)CCc2ccc(OC)cc2C1
InChIInChI=1S/C13H19NO2/c1-14-9-13(15)6-5-10-3-4-12(16-2)7-11(10)8-13/h3-4,7,14-15H,5-6,8-9H2,1-2H3
InChIKeyFKCNQERATPYZAV-UHFFFAOYSA-N
XLogP1.13
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(methylaminomethyl)-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 7-methoxy-2-(methylaminomethyl)-3,4-dihydro-1H-naphthalen-2-ol (CID 115511135) is 7-methoxy-2-(methylaminomethyl)-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 7-methoxy-2-(methylaminomethyl)-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 7-methoxy-2-(methylaminomethyl)-3,4-dihydro-1H-naphthalen-2-ol is CNCC1(O)CCc2ccc(OC)cc2C1.
What is the InChIKey of 7-methoxy-2-(methylaminomethyl)-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is FKCNQERATPYZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-14-9-13(15)6-5-10-3-4-12(16-2)7-11(10)8-13/h3-4,7,14-15H,5-6,8-9H2,1-2H3.
What are the key properties of 7-methoxy-2-(methylaminomethyl)-3,4-dihydro-1H-naphthalen-2-ol?
7-methoxy-2-(methylaminomethyl)-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 221.30 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(methylaminomethyl)-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 115511135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).