2-(aminomethyl)-3,4-dihydro-1H-naphthalene-2,7-diol

C11H15NO2 — CID 105447110

IUPAC2-(aminomethyl)-3,4-dihydro-1H-naphthalene-2,7-diol
SMILESNCC1(O)CCc2ccc(O)cc2C1
InChIInChI=1S/C11H15NO2/c12-7-11(14)4-3-8-1-2-10(13)5-9(8)6-11/h1-2,5,13-14H,3-4,6-7,12H2
InChIKeyWXLPZDZIVBXEII-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.57
Rot. Bonds1

About 2-(aminomethyl)-3,4-dihydro-1H-naphthalene-2,7-diol

2-(aminomethyl)-3,4-dihydro-1H-naphthalene-2,7-diol (PubChem CID 105447110) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(aminomethyl)-3,4-dihydro-1H-naphthalene-2,7-diol.

Molecular Properties

Compound Name2-(aminomethyl)-3,4-dihydro-1H-naphthalene-2,7-diol
PubChem CID105447110
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-(aminomethyl)-3,4-dihydro-1H-naphthalene-2,7-diol
SMILESNCC1(O)CCc2ccc(O)cc2C1
InChIInChI=1S/C11H15NO2/c12-7-11(14)4-3-8-1-2-10(13)5-9(8)6-11/h1-2,5,13-14H,3-4,6-7,12H2
InChIKeyWXLPZDZIVBXEII-UHFFFAOYSA-N
XLogP0.57
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-3,4-dihydro-1H-naphthalene-2,7-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3,4-dihydro-1H-naphthalene-2,7-diol?
The IUPAC name of 2-(aminomethyl)-3,4-dihydro-1H-naphthalene-2,7-diol (CID 105447110) is 2-(aminomethyl)-3,4-dihydro-1H-naphthalene-2,7-diol.
What is the SMILES notation for 2-(aminomethyl)-3,4-dihydro-1H-naphthalene-2,7-diol?
The canonical SMILES for 2-(aminomethyl)-3,4-dihydro-1H-naphthalene-2,7-diol is NCC1(O)CCc2ccc(O)cc2C1.
What is the InChIKey of 2-(aminomethyl)-3,4-dihydro-1H-naphthalene-2,7-diol?
The InChIKey is WXLPZDZIVBXEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c12-7-11(14)4-3-8-1-2-10(13)5-9(8)6-11/h1-2,5,13-14H,3-4,6-7,12H2.
What are the key properties of 2-(aminomethyl)-3,4-dihydro-1H-naphthalene-2,7-diol?
2-(aminomethyl)-3,4-dihydro-1H-naphthalene-2,7-diol has a molecular weight of 193.25 g/mol, XLogP of 0.57, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3,4-dihydro-1H-naphthalene-2,7-diol is sourced from PubChem (CID 105447110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).