2-(3-aminopropyl)-5,6,7,8-tetrahydronaphthalen-1-ol

C13H19NO — CID 117294086

IUPAC2-(3-aminopropyl)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESNCCCc1ccc2c(c1O)CCCC2
InChIInChI=1S/C13H19NO/c14-9-3-5-11-8-7-10-4-1-2-6-12(10)13(11)15/h7-8,15H,1-6,9,14H2
InChIKeyXKOFONDXSMHMKN-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.16
Rot. Bonds3

About 2-(3-aminopropyl)-5,6,7,8-tetrahydronaphthalen-1-ol

2-(3-aminopropyl)-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 117294086) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(3-aminopropyl)-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name2-(3-aminopropyl)-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID117294086
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(3-aminopropyl)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESNCCCc1ccc2c(c1O)CCCC2
InChIInChI=1S/C13H19NO/c14-9-3-5-11-8-7-10-4-1-2-6-12(10)13(11)15/h7-8,15H,1-6,9,14H2
InChIKeyXKOFONDXSMHMKN-UHFFFAOYSA-N
XLogP2.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(3-aminopropyl)-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 2-(3-aminopropyl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 2-(3-aminopropyl)-5,6,7,8-tetrahydronaphthalen-1-ol (CID 117294086) is 2-(3-aminopropyl)-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 2-(3-aminopropyl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 2-(3-aminopropyl)-5,6,7,8-tetrahydronaphthalen-1-ol is NCCCc1ccc2c(c1O)CCCC2.
What is the InChIKey of 2-(3-aminopropyl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is XKOFONDXSMHMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c14-9-3-5-11-8-7-10-4-1-2-6-12(10)13(11)15/h7-8,15H,1-6,9,14H2.
What are the key properties of 2-(3-aminopropyl)-5,6,7,8-tetrahydronaphthalen-1-ol?
2-(3-aminopropyl)-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 205.30 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 117294086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).