4-(butylamino)phenol

C10H15NO — CID 7665

IUPAC4-(butylamino)phenol
SMILESCCCCNc1ccc(O)cc1
InChIInChI=1S/C10H15NO/c1-2-3-8-11-9-4-6-10(12)7-5-9/h4-7,11-12H,2-3,8H2,1H3
InChIKeyVAMBUGIXOVLJEA-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.60
Rot. Bonds4

About 4-(butylamino)phenol

4-(butylamino)phenol (PubChem CID 7665) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-(butylamino)phenol.

Molecular Properties

Compound Name4-(butylamino)phenol
PubChem CID7665
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4-(butylamino)phenol
SMILESCCCCNc1ccc(O)cc1
InChIInChI=1S/C10H15NO/c1-2-3-8-11-9-4-6-10(12)7-5-9/h4-7,11-12H,2-3,8H2,1H3
InChIKeyVAMBUGIXOVLJEA-UHFFFAOYSA-N
XLogP2.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(butylamino)phenol?
The IUPAC name of 4-(butylamino)phenol (CID 7665) is 4-(butylamino)phenol.
What is the SMILES notation for 4-(butylamino)phenol?
The canonical SMILES for 4-(butylamino)phenol is CCCCNc1ccc(O)cc1.
What is the InChIKey of 4-(butylamino)phenol?
The InChIKey is VAMBUGIXOVLJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-3-8-11-9-4-6-10(12)7-5-9/h4-7,11-12H,2-3,8H2,1H3.
What are the key properties of 4-(butylamino)phenol?
4-(butylamino)phenol has a molecular weight of 165.24 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylamino)phenol is sourced from PubChem (CID 7665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).