4-[3-(5-phenylpentylamino)propyl]phenol

C20H27NO — CID 10520673

IUPAC4-[3-(5-phenylpentylamino)propyl]phenol
SMILESOc1ccc(CCCNCCCCCc2ccccc2)cc1
InChIInChI=1S/C20H27NO/c22-20-14-12-19(13-15-20)11-7-17-21-16-6-2-5-10-18-8-3-1-4-9-18/h1,3-4,8-9,12-15,21-22H,2,5-7,10-11,16-17H2
InChIKeyHCVJFVZXTLAHRT-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.33
Rot. Bonds10

About 4-[3-(5-phenylpentylamino)propyl]phenol

4-[3-(5-phenylpentylamino)propyl]phenol (PubChem CID 10520673) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 4-[3-(5-phenylpentylamino)propyl]phenol.

Molecular Properties

Compound Name4-[3-(5-phenylpentylamino)propyl]phenol
PubChem CID10520673
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name4-[3-(5-phenylpentylamino)propyl]phenol
SMILESOc1ccc(CCCNCCCCCc2ccccc2)cc1
InChIInChI=1S/C20H27NO/c22-20-14-12-19(13-15-20)11-7-17-21-16-6-2-5-10-18-8-3-1-4-9-18/h1,3-4,8-9,12-15,21-22H,2,5-7,10-11,16-17H2
InChIKeyHCVJFVZXTLAHRT-UHFFFAOYSA-N
XLogP4.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.33
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-[3-(5-phenylpentylamino)propyl]phenol?
The IUPAC name of 4-[3-(5-phenylpentylamino)propyl]phenol (CID 10520673) is 4-[3-(5-phenylpentylamino)propyl]phenol.
What is the SMILES notation for 4-[3-(5-phenylpentylamino)propyl]phenol?
The canonical SMILES for 4-[3-(5-phenylpentylamino)propyl]phenol is Oc1ccc(CCCNCCCCCc2ccccc2)cc1.
What is the InChIKey of 4-[3-(5-phenylpentylamino)propyl]phenol?
The InChIKey is HCVJFVZXTLAHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c22-20-14-12-19(13-15-20)11-7-17-21-16-6-2-5-10-18-8-3-1-4-9-18/h1,3-4,8-9,12-15,21-22H,2,5-7,10-11,16-17H2.
What are the key properties of 4-[3-(5-phenylpentylamino)propyl]phenol?
4-[3-(5-phenylpentylamino)propyl]phenol has a molecular weight of 297.44 g/mol, XLogP of 4.33, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-phenylpentylamino)propyl]phenol is sourced from PubChem (CID 10520673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).