4-[2-[ethyl(4-phenylbutyl)amino]ethyl]phenol

C20H27NO — CID 10685438

IUPAC4-[2-[ethyl(4-phenylbutyl)amino]ethyl]phenol
SMILESCCN(CCCCc1ccccc1)CCc1ccc(O)cc1
InChIInChI=1S/C20H27NO/c1-2-21(17-15-19-11-13-20(22)14-12-19)16-7-6-10-18-8-4-3-5-9-18/h3-5,8-9,11-14,22H,2,6-7,10,15-17H2,1H3
InChIKeyCJODMSRSFMFSCO-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.28
Rot. Bonds9

About 4-[2-[ethyl(4-phenylbutyl)amino]ethyl]phenol

4-[2-[ethyl(4-phenylbutyl)amino]ethyl]phenol (PubChem CID 10685438) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 4-[2-[ethyl(4-phenylbutyl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[ethyl(4-phenylbutyl)amino]ethyl]phenol
PubChem CID10685438
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name4-[2-[ethyl(4-phenylbutyl)amino]ethyl]phenol
SMILESCCN(CCCCc1ccccc1)CCc1ccc(O)cc1
InChIInChI=1S/C20H27NO/c1-2-21(17-15-19-11-13-20(22)14-12-19)16-7-6-10-18-8-4-3-5-9-18/h3-5,8-9,11-14,22H,2,6-7,10,15-17H2,1H3
InChIKeyCJODMSRSFMFSCO-UHFFFAOYSA-N
XLogP4.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
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-[ethyl(4-phenylbutyl)amino]ethyl]phenol?
The IUPAC name of 4-[2-[ethyl(4-phenylbutyl)amino]ethyl]phenol (CID 10685438) is 4-[2-[ethyl(4-phenylbutyl)amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[ethyl(4-phenylbutyl)amino]ethyl]phenol?
The canonical SMILES for 4-[2-[ethyl(4-phenylbutyl)amino]ethyl]phenol is CCN(CCCCc1ccccc1)CCc1ccc(O)cc1.
What is the InChIKey of 4-[2-[ethyl(4-phenylbutyl)amino]ethyl]phenol?
The InChIKey is CJODMSRSFMFSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-2-21(17-15-19-11-13-20(22)14-12-19)16-7-6-10-18-8-4-3-5-9-18/h3-5,8-9,11-14,22H,2,6-7,10,15-17H2,1H3.
What are the key properties of 4-[2-[ethyl(4-phenylbutyl)amino]ethyl]phenol?
4-[2-[ethyl(4-phenylbutyl)amino]ethyl]phenol has a molecular weight of 297.44 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[ethyl(4-phenylbutyl)amino]ethyl]phenol is sourced from PubChem (CID 10685438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).