4-[2-(3-phenylpropylamino)ethyl]phenol

C17H21NO — CID 10565541

IUPAC4-[2-(3-phenylpropylamino)ethyl]phenol
SMILESOc1ccc(CCNCCCc2ccccc2)cc1
InChIInChI=1S/C17H21NO/c19-17-10-8-16(9-11-17)12-14-18-13-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,18-19H,4,7,12-14H2
InChIKeySJSNYEZWGGSNKY-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.16
Rot. Bonds7

About 4-[2-(3-phenylpropylamino)ethyl]phenol

4-[2-(3-phenylpropylamino)ethyl]phenol (PubChem CID 10565541) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-[2-(3-phenylpropylamino)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(3-phenylpropylamino)ethyl]phenol
PubChem CID10565541
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name4-[2-(3-phenylpropylamino)ethyl]phenol
SMILESOc1ccc(CCNCCCc2ccccc2)cc1
InChIInChI=1S/C17H21NO/c19-17-10-8-16(9-11-17)12-14-18-13-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,18-19H,4,7,12-14H2
InChIKeySJSNYEZWGGSNKY-UHFFFAOYSA-N
XLogP3.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.16
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-(3-phenylpropylamino)ethyl]phenol?
The IUPAC name of 4-[2-(3-phenylpropylamino)ethyl]phenol (CID 10565541) is 4-[2-(3-phenylpropylamino)ethyl]phenol.
What is the SMILES notation for 4-[2-(3-phenylpropylamino)ethyl]phenol?
The canonical SMILES for 4-[2-(3-phenylpropylamino)ethyl]phenol is Oc1ccc(CCNCCCc2ccccc2)cc1.
What is the InChIKey of 4-[2-(3-phenylpropylamino)ethyl]phenol?
The InChIKey is SJSNYEZWGGSNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c19-17-10-8-16(9-11-17)12-14-18-13-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,18-19H,4,7,12-14H2.
What are the key properties of 4-[2-(3-phenylpropylamino)ethyl]phenol?
4-[2-(3-phenylpropylamino)ethyl]phenol has a molecular weight of 255.36 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-phenylpropylamino)ethyl]phenol is sourced from PubChem (CID 10565541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).