2-amino-4-propylphenol

C9H13NO — CID 721138

IUPAC2-amino-4-propylphenol
SMILESCCCc1ccc(O)c(N)c1
InChIInChI=1S/C9H13NO/c1-2-3-7-4-5-9(11)8(10)6-7/h4-6,11H,2-3,10H2,1H3
InChIKeyVXTJVMWIVSZHNI-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.93
Rot. Bonds2

About 2-amino-4-propylphenol

2-amino-4-propylphenol (PubChem CID 721138) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-amino-4-propylphenol.

Molecular Properties

Compound Name2-amino-4-propylphenol
PubChem CID721138
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-amino-4-propylphenol
SMILESCCCc1ccc(O)c(N)c1
InChIInChI=1S/C9H13NO/c1-2-3-7-4-5-9(11)8(10)6-7/h4-6,11H,2-3,10H2,1H3
InChIKeyVXTJVMWIVSZHNI-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'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-propylphenol?
The IUPAC name of 2-amino-4-propylphenol (CID 721138) is 2-amino-4-propylphenol.
What is the SMILES notation for 2-amino-4-propylphenol?
The canonical SMILES for 2-amino-4-propylphenol is CCCc1ccc(O)c(N)c1.
What is the InChIKey of 2-amino-4-propylphenol?
The InChIKey is VXTJVMWIVSZHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-3-7-4-5-9(11)8(10)6-7/h4-6,11H,2-3,10H2,1H3.
What are the key properties of 2-amino-4-propylphenol?
2-amino-4-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 2-amino-4-propylphenol is sourced from PubChem (CID 721138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).