4-[2-(5-phenylpentylamino)ethyl]phenol

C19H25NO — CID 10336113

IUPAC4-[2-(5-phenylpentylamino)ethyl]phenol
SMILESOc1ccc(CCNCCCCCc2ccccc2)cc1
InChIInChI=1S/C19H25NO/c21-19-12-10-18(11-13-19)14-16-20-15-6-2-5-9-17-7-3-1-4-8-17/h1,3-4,7-8,10-13,20-21H,2,5-6,9,14-16H2
InChIKeyGMQWOUOTGDXTNP-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.94
Rot. Bonds9

About 4-[2-(5-phenylpentylamino)ethyl]phenol

4-[2-(5-phenylpentylamino)ethyl]phenol (PubChem CID 10336113) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-[2-(5-phenylpentylamino)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(5-phenylpentylamino)ethyl]phenol
PubChem CID10336113
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name4-[2-(5-phenylpentylamino)ethyl]phenol
SMILESOc1ccc(CCNCCCCCc2ccccc2)cc1
InChIInChI=1S/C19H25NO/c21-19-12-10-18(11-13-19)14-16-20-15-6-2-5-9-17-7-3-1-4-8-17/h1,3-4,7-8,10-13,20-21H,2,5-6,9,14-16H2
InChIKeyGMQWOUOTGDXTNP-UHFFFAOYSA-N
XLogP3.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.94
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-(5-phenylpentylamino)ethyl]phenol?
The IUPAC name of 4-[2-(5-phenylpentylamino)ethyl]phenol (CID 10336113) is 4-[2-(5-phenylpentylamino)ethyl]phenol.
What is the SMILES notation for 4-[2-(5-phenylpentylamino)ethyl]phenol?
The canonical SMILES for 4-[2-(5-phenylpentylamino)ethyl]phenol is Oc1ccc(CCNCCCCCc2ccccc2)cc1.
What is the InChIKey of 4-[2-(5-phenylpentylamino)ethyl]phenol?
The InChIKey is GMQWOUOTGDXTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c21-19-12-10-18(11-13-19)14-16-20-15-6-2-5-9-17-7-3-1-4-8-17/h1,3-4,7-8,10-13,20-21H,2,5-6,9,14-16H2.
What are the key properties of 4-[2-(5-phenylpentylamino)ethyl]phenol?
4-[2-(5-phenylpentylamino)ethyl]phenol has a molecular weight of 283.42 g/mol, XLogP of 3.94, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-phenylpentylamino)ethyl]phenol is sourced from PubChem (CID 10336113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).