4-[2-(4-phenylbutylamino)ethyl]phenol

C18H23NO — CID 10707108

IUPAC4-[2-(4-phenylbutylamino)ethyl]phenol
SMILESOc1ccc(CCNCCCCc2ccccc2)cc1
InChIInChI=1S/C18H23NO/c20-18-11-9-17(10-12-18)13-15-19-14-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,9-12,19-20H,4-5,8,13-15H2
InChIKeyFNRAWMBUHCSCSX-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.55
Rot. Bonds8

About 4-[2-(4-phenylbutylamino)ethyl]phenol

4-[2-(4-phenylbutylamino)ethyl]phenol (PubChem CID 10707108) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-[2-(4-phenylbutylamino)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(4-phenylbutylamino)ethyl]phenol
PubChem CID10707108
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-[2-(4-phenylbutylamino)ethyl]phenol
SMILESOc1ccc(CCNCCCCc2ccccc2)cc1
InChIInChI=1S/C18H23NO/c20-18-11-9-17(10-12-18)13-15-19-14-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,9-12,19-20H,4-5,8,13-15H2
InChIKeyFNRAWMBUHCSCSX-UHFFFAOYSA-N
XLogP3.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.55
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-[2-(4-phenylbutylamino)ethyl]phenol?
The IUPAC name of 4-[2-(4-phenylbutylamino)ethyl]phenol (CID 10707108) is 4-[2-(4-phenylbutylamino)ethyl]phenol.
What is the SMILES notation for 4-[2-(4-phenylbutylamino)ethyl]phenol?
The canonical SMILES for 4-[2-(4-phenylbutylamino)ethyl]phenol is Oc1ccc(CCNCCCCc2ccccc2)cc1.
What is the InChIKey of 4-[2-(4-phenylbutylamino)ethyl]phenol?
The InChIKey is FNRAWMBUHCSCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c20-18-11-9-17(10-12-18)13-15-19-14-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,9-12,19-20H,4-5,8,13-15H2.
What are the key properties of 4-[2-(4-phenylbutylamino)ethyl]phenol?
4-[2-(4-phenylbutylamino)ethyl]phenol has a molecular weight of 269.39 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-phenylbutylamino)ethyl]phenol is sourced from PubChem (CID 10707108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).