4-(hexylamino)phenol

C12H19NO — CID 10058440

IUPAC4-(hexylamino)phenol
SMILESCCCCCCNc1ccc(O)cc1
InChIInChI=1S/C12H19NO/c1-2-3-4-5-10-13-11-6-8-12(14)9-7-11/h6-9,13-14H,2-5,10H2,1H3
InChIKeyWKZUDDNCUOCRND-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.38
Rot. Bonds6

About 4-(hexylamino)phenol

4-(hexylamino)phenol (PubChem CID 10058440) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-(hexylamino)phenol.

Molecular Properties

Compound Name4-(hexylamino)phenol
PubChem CID10058440
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-(hexylamino)phenol
SMILESCCCCCCNc1ccc(O)cc1
InChIInChI=1S/C12H19NO/c1-2-3-4-5-10-13-11-6-8-12(14)9-7-11/h6-9,13-14H,2-5,10H2,1H3
InChIKeyWKZUDDNCUOCRND-UHFFFAOYSA-N
XLogP3.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.38
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-(hexylamino)phenol?
The IUPAC name of 4-(hexylamino)phenol (CID 10058440) is 4-(hexylamino)phenol.
What is the SMILES notation for 4-(hexylamino)phenol?
The canonical SMILES for 4-(hexylamino)phenol is CCCCCCNc1ccc(O)cc1.
What is the InChIKey of 4-(hexylamino)phenol?
The InChIKey is WKZUDDNCUOCRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-3-4-5-10-13-11-6-8-12(14)9-7-11/h6-9,13-14H,2-5,10H2,1H3.
What are the key properties of 4-(hexylamino)phenol?
4-(hexylamino)phenol has a molecular weight of 193.29 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hexylamino)phenol is sourced from PubChem (CID 10058440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).