1-(4-aminophenyl)hexan-1-ol

C12H19NO — CID 57282999

IUPAC1-(4-aminophenyl)hexan-1-ol
SMILESCCCCCC(O)c1ccc(N)cc1
InChIInChI=1S/C12H19NO/c1-2-3-4-5-12(14)10-6-8-11(13)9-7-10/h6-9,12,14H,2-5,13H2,1H3
InChIKeyAHEJBPLRIVPKFX-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.88
Rot. Bonds5

About 1-(4-aminophenyl)hexan-1-ol

1-(4-aminophenyl)hexan-1-ol (PubChem CID 57282999) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(4-aminophenyl)hexan-1-ol.

Molecular Properties

Compound Name1-(4-aminophenyl)hexan-1-ol
PubChem CID57282999
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(4-aminophenyl)hexan-1-ol
SMILESCCCCCC(O)c1ccc(N)cc1
InChIInChI=1S/C12H19NO/c1-2-3-4-5-12(14)10-6-8-11(13)9-7-10/h6-9,12,14H,2-5,13H2,1H3
InChIKeyAHEJBPLRIVPKFX-UHFFFAOYSA-N
XLogP2.88
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-aminophenyl)hexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)hexan-1-ol?
The IUPAC name of 1-(4-aminophenyl)hexan-1-ol (CID 57282999) is 1-(4-aminophenyl)hexan-1-ol.
What is the SMILES notation for 1-(4-aminophenyl)hexan-1-ol?
The canonical SMILES for 1-(4-aminophenyl)hexan-1-ol is CCCCCC(O)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)hexan-1-ol?
The InChIKey is AHEJBPLRIVPKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-3-4-5-12(14)10-6-8-11(13)9-7-10/h6-9,12,14H,2-5,13H2,1H3.
What are the key properties of 1-(4-aminophenyl)hexan-1-ol?
1-(4-aminophenyl)hexan-1-ol has a molecular weight of 193.29 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)hexan-1-ol is sourced from PubChem (CID 57282999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).