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

C13H15NO — CID 91235650

IUPAC1-(1-aminonaphthalen-2-yl)propan-1-ol
SMILESCCC(O)c1ccc2ccccc2c1N
InChIInChI=1S/C13H15NO/c1-2-12(15)11-8-7-9-5-3-4-6-10(9)13(11)14/h3-8,12,15H,2,14H2,1H3
InChIKeyHNSDWROKXABPCS-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.87
Rot. Bonds2

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

1-(1-aminonaphthalen-2-yl)propan-1-ol (PubChem CID 91235650) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(1-aminonaphthalen-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(1-aminonaphthalen-2-yl)propan-1-ol
PubChem CID91235650
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-(1-aminonaphthalen-2-yl)propan-1-ol
SMILESCCC(O)c1ccc2ccccc2c1N
InChIInChI=1S/C13H15NO/c1-2-12(15)11-8-7-9-5-3-4-6-10(9)13(11)14/h3-8,12,15H,2,14H2,1H3
InChIKeyHNSDWROKXABPCS-UHFFFAOYSA-N
XLogP2.87
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.87
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 1-(1-aminonaphthalen-2-yl)propan-1-ol?
The IUPAC name of 1-(1-aminonaphthalen-2-yl)propan-1-ol (CID 91235650) is 1-(1-aminonaphthalen-2-yl)propan-1-ol.
What is the SMILES notation for 1-(1-aminonaphthalen-2-yl)propan-1-ol?
The canonical SMILES for 1-(1-aminonaphthalen-2-yl)propan-1-ol is CCC(O)c1ccc2ccccc2c1N.
What is the InChIKey of 1-(1-aminonaphthalen-2-yl)propan-1-ol?
The InChIKey is HNSDWROKXABPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-2-12(15)11-8-7-9-5-3-4-6-10(9)13(11)14/h3-8,12,15H,2,14H2,1H3.
What are the key properties of 1-(1-aminonaphthalen-2-yl)propan-1-ol?
1-(1-aminonaphthalen-2-yl)propan-1-ol has a molecular weight of 201.27 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminonaphthalen-2-yl)propan-1-ol is sourced from PubChem (CID 91235650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).