5-amino-2-propylphenol

C9H13NO — CID 3020897

IUPAC5-amino-2-propylphenol
SMILESCCCc1ccc(N)cc1O
InChIInChI=1S/C9H13NO/c1-2-3-7-4-5-8(10)6-9(7)11/h4-6,11H,2-3,10H2,1H3
InChIKeyOBSVPCXXFVMJDF-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.93
Rot. Bonds2

About 5-amino-2-propylphenol

5-amino-2-propylphenol (PubChem CID 3020897) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-amino-2-propylphenol.

Molecular Properties

Compound Name5-amino-2-propylphenol
PubChem CID3020897
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name5-amino-2-propylphenol
SMILESCCCc1ccc(N)cc1O
InChIInChI=1S/C9H13NO/c1-2-3-7-4-5-8(10)6-9(7)11/h4-6,11H,2-3,10H2,1H3
InChIKeyOBSVPCXXFVMJDF-UHFFFAOYSA-N
XLogP1.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.93
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 5-amino-2-propylphenol?
The IUPAC name of 5-amino-2-propylphenol (CID 3020897) is 5-amino-2-propylphenol.
What is the SMILES notation for 5-amino-2-propylphenol?
The canonical SMILES for 5-amino-2-propylphenol is CCCc1ccc(N)cc1O.
What is the InChIKey of 5-amino-2-propylphenol?
The InChIKey is OBSVPCXXFVMJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-3-7-4-5-8(10)6-9(7)11/h4-6,11H,2-3,10H2,1H3.
What are the key properties of 5-amino-2-propylphenol?
5-amino-2-propylphenol has a molecular weight of 151.21 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-propylphenol is sourced from PubChem (CID 3020897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).