3-(1-aminonaphthalen-2-yl)propan-1-ol

C13H15NO — CID 57176230

IUPAC3-(1-aminonaphthalen-2-yl)propan-1-ol
SMILESNc1c(CCCO)ccc2ccccc12
InChIInChI=1S/C13H15NO/c14-13-11(5-3-9-15)8-7-10-4-1-2-6-12(10)13/h1-2,4,6-8,15H,3,5,9,14H2
InChIKeyXDIZGFRPEMWUDD-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.35
Rot. Bonds3

About 3-(1-aminonaphthalen-2-yl)propan-1-ol

3-(1-aminonaphthalen-2-yl)propan-1-ol (PubChem CID 57176230) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(1-aminonaphthalen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1-aminonaphthalen-2-yl)propan-1-ol
PubChem CID57176230
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name3-(1-aminonaphthalen-2-yl)propan-1-ol
SMILESNc1c(CCCO)ccc2ccccc12
InChIInChI=1S/C13H15NO/c14-13-11(5-3-9-15)8-7-10-4-1-2-6-12(10)13/h1-2,4,6-8,15H,3,5,9,14H2
InChIKeyXDIZGFRPEMWUDD-UHFFFAOYSA-N
XLogP2.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminonaphthalen-2-yl)propan-1-ol?
The IUPAC name of 3-(1-aminonaphthalen-2-yl)propan-1-ol (CID 57176230) is 3-(1-aminonaphthalen-2-yl)propan-1-ol.
What is the SMILES notation for 3-(1-aminonaphthalen-2-yl)propan-1-ol?
The canonical SMILES for 3-(1-aminonaphthalen-2-yl)propan-1-ol is Nc1c(CCCO)ccc2ccccc12.
What is the InChIKey of 3-(1-aminonaphthalen-2-yl)propan-1-ol?
The InChIKey is XDIZGFRPEMWUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c14-13-11(5-3-9-15)8-7-10-4-1-2-6-12(10)13/h1-2,4,6-8,15H,3,5,9,14H2.
What are the key properties of 3-(1-aminonaphthalen-2-yl)propan-1-ol?
3-(1-aminonaphthalen-2-yl)propan-1-ol has a molecular weight of 201.27 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminonaphthalen-2-yl)propan-1-ol is sourced from PubChem (CID 57176230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).