4-anilino-1-phenylbutan-1-ol

C16H19NO — CID 23241215

IUPAC4-anilino-1-phenylbutan-1-ol
SMILESOC(CCCNc1ccccc1)c1ccccc1
InChIInChI=1S/C16H19NO/c18-16(14-8-3-1-4-9-14)12-7-13-17-15-10-5-2-6-11-15/h1-6,8-11,16-18H,7,12-13H2
InChIKeyPZSWTZBNFTYKKQ-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.61
Rot. Bonds6

About 4-anilino-1-phenylbutan-1-ol

4-anilino-1-phenylbutan-1-ol (PubChem CID 23241215) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-anilino-1-phenylbutan-1-ol.

Molecular Properties

Compound Name4-anilino-1-phenylbutan-1-ol
PubChem CID23241215
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name4-anilino-1-phenylbutan-1-ol
SMILESOC(CCCNc1ccccc1)c1ccccc1
InChIInChI=1S/C16H19NO/c18-16(14-8-3-1-4-9-14)12-7-13-17-15-10-5-2-6-11-15/h1-6,8-11,16-18H,7,12-13H2
InChIKeyPZSWTZBNFTYKKQ-UHFFFAOYSA-N
XLogP3.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-1-phenylbutan-1-ol?
The IUPAC name of 4-anilino-1-phenylbutan-1-ol (CID 23241215) is 4-anilino-1-phenylbutan-1-ol.
What is the SMILES notation for 4-anilino-1-phenylbutan-1-ol?
The canonical SMILES for 4-anilino-1-phenylbutan-1-ol is OC(CCCNc1ccccc1)c1ccccc1.
What is the InChIKey of 4-anilino-1-phenylbutan-1-ol?
The InChIKey is PZSWTZBNFTYKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c18-16(14-8-3-1-4-9-14)12-7-13-17-15-10-5-2-6-11-15/h1-6,8-11,16-18H,7,12-13H2.
What are the key properties of 4-anilino-1-phenylbutan-1-ol?
4-anilino-1-phenylbutan-1-ol has a molecular weight of 241.33 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-1-phenylbutan-1-ol is sourced from PubChem (CID 23241215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).