6-[1-(methylamino)ethyl]-7,8-dihydronaphthalen-2-ol

C13H17NO — CID 105455603

IUPAC6-[1-(methylamino)ethyl]-7,8-dihydronaphthalen-2-ol
SMILESCNC(C)C1=Cc2ccc(O)cc2CC1
InChIInChI=1S/C13H17NO/c1-9(14-2)10-3-4-12-8-13(15)6-5-11(12)7-10/h5-9,14-15H,3-4H2,1-2H3
InChIKeyAFHLFDXSHPJDNP-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.33
Rot. Bonds2

About 6-[1-(methylamino)ethyl]-7,8-dihydronaphthalen-2-ol

6-[1-(methylamino)ethyl]-7,8-dihydronaphthalen-2-ol (PubChem CID 105455603) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 6-[1-(methylamino)ethyl]-7,8-dihydronaphthalen-2-ol.

Molecular Properties

Compound Name6-[1-(methylamino)ethyl]-7,8-dihydronaphthalen-2-ol
PubChem CID105455603
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name6-[1-(methylamino)ethyl]-7,8-dihydronaphthalen-2-ol
SMILESCNC(C)C1=Cc2ccc(O)cc2CC1
InChIInChI=1S/C13H17NO/c1-9(14-2)10-3-4-12-8-13(15)6-5-11(12)7-10/h5-9,14-15H,3-4H2,1-2H3
InChIKeyAFHLFDXSHPJDNP-UHFFFAOYSA-N
XLogP2.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(methylamino)ethyl]-7,8-dihydronaphthalen-2-ol?
The IUPAC name of 6-[1-(methylamino)ethyl]-7,8-dihydronaphthalen-2-ol (CID 105455603) is 6-[1-(methylamino)ethyl]-7,8-dihydronaphthalen-2-ol.
What is the SMILES notation for 6-[1-(methylamino)ethyl]-7,8-dihydronaphthalen-2-ol?
The canonical SMILES for 6-[1-(methylamino)ethyl]-7,8-dihydronaphthalen-2-ol is CNC(C)C1=Cc2ccc(O)cc2CC1.
What is the InChIKey of 6-[1-(methylamino)ethyl]-7,8-dihydronaphthalen-2-ol?
The InChIKey is AFHLFDXSHPJDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9(14-2)10-3-4-12-8-13(15)6-5-11(12)7-10/h5-9,14-15H,3-4H2,1-2H3.
What are the key properties of 6-[1-(methylamino)ethyl]-7,8-dihydronaphthalen-2-ol?
6-[1-(methylamino)ethyl]-7,8-dihydronaphthalen-2-ol has a molecular weight of 203.28 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(methylamino)ethyl]-7,8-dihydronaphthalen-2-ol is sourced from PubChem (CID 105455603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).