4-(1-aminoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol

C12H17NO — CID 117282545

IUPAC4-(1-aminoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCC(N)c1ccc(O)c2c1CCCC2
InChIInChI=1S/C12H17NO/c1-8(13)9-6-7-12(14)11-5-3-2-4-10(9)11/h6-8,14H,2-5,13H2,1H3
InChIKeyNCTYTSONPLILGH-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.29
Rot. Bonds1

About 4-(1-aminoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol

4-(1-aminoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 117282545) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-(1-aminoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name4-(1-aminoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID117282545
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-(1-aminoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCC(N)c1ccc(O)c2c1CCCC2
InChIInChI=1S/C12H17NO/c1-8(13)9-6-7-12(14)11-5-3-2-4-10(9)11/h6-8,14H,2-5,13H2,1H3
InChIKeyNCTYTSONPLILGH-UHFFFAOYSA-N
XLogP2.29
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(1-aminoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol 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 4-(1-aminoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 4-(1-aminoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol (CID 117282545) is 4-(1-aminoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 4-(1-aminoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 4-(1-aminoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol is CC(N)c1ccc(O)c2c1CCCC2.
What is the InChIKey of 4-(1-aminoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is NCTYTSONPLILGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8(13)9-6-7-12(14)11-5-3-2-4-10(9)11/h6-8,14H,2-5,13H2,1H3.
What are the key properties of 4-(1-aminoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol?
4-(1-aminoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 191.27 g/mol, XLogP of 2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 117282545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).