2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-ol

C11H15NO — CID 60796100

IUPAC2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-ol
SMILESNCC1(O)CCc2ccccc2C1
InChIInChI=1S/C11H15NO/c12-8-11(13)6-5-9-3-1-2-4-10(9)7-11/h1-4,13H,5-8,12H2
InChIKeyLUNDWBGKMFHRAO-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.87
Rot. Bonds1

About 2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-ol

2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 60796100) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID60796100
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-ol
SMILESNCC1(O)CCc2ccccc2C1
InChIInChI=1S/C11H15NO/c12-8-11(13)6-5-9-3-1-2-4-10(9)7-11/h1-4,13H,5-8,12H2
InChIKeyLUNDWBGKMFHRAO-UHFFFAOYSA-N
XLogP0.87
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-ol (CID 60796100) is 2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-ol is NCC1(O)CCc2ccccc2C1.
What is the InChIKey of 2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is LUNDWBGKMFHRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c12-8-11(13)6-5-9-3-1-2-4-10(9)7-11/h1-4,13H,5-8,12H2.
What are the key properties of 2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-ol?
2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 177.25 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 60796100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).