5-[methyl(2-phenylethyl)amino]-1-[3-(trifluoromethyl)phenyl]pentan-1-ol

C21H26F3NO — CID 54543116

IUPAC5-[methyl(2-phenylethyl)amino]-1-[3-(trifluoromethyl)phenyl]pentan-1-ol
SMILESCN(CCCCC(O)c1cccc(C(F)(F)F)c1)CCc1ccccc1
InChIInChI=1S/C21H26F3NO/c1-25(15-13-17-8-3-2-4-9-17)14-6-5-12-20(26)18-10-7-11-19(16-18)21(22,23)24/h2-4,7-11,16,20,26H,5-6,12-15H2,1H3
InChIKeyZEQFPZQCVVZQEL-UHFFFAOYSA-N
MW365.44 g/mol
LogP5.08
Rot. Bonds9

About 5-[methyl(2-phenylethyl)amino]-1-[3-(trifluoromethyl)phenyl]pentan-1-ol

5-[methyl(2-phenylethyl)amino]-1-[3-(trifluoromethyl)phenyl]pentan-1-ol (PubChem CID 54543116) has the molecular formula C21H26F3NO and a molecular weight of 365.44 g/mol. Its IUPAC name is 5-[methyl(2-phenylethyl)amino]-1-[3-(trifluoromethyl)phenyl]pentan-1-ol.

Molecular Properties

Compound Name5-[methyl(2-phenylethyl)amino]-1-[3-(trifluoromethyl)phenyl]pentan-1-ol
PubChem CID54543116
Molecular FormulaC21H26F3NO
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name5-[methyl(2-phenylethyl)amino]-1-[3-(trifluoromethyl)phenyl]pentan-1-ol
SMILESCN(CCCCC(O)c1cccc(C(F)(F)F)c1)CCc1ccccc1
InChIInChI=1S/C21H26F3NO/c1-25(15-13-17-8-3-2-4-9-17)14-6-5-12-20(26)18-10-7-11-19(16-18)21(22,23)24/h2-4,7-11,16,20,26H,5-6,12-15H2,1H3
InChIKeyZEQFPZQCVVZQEL-UHFFFAOYSA-N
XLogP5.08
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.44
LogP ≤ 55.08
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 5-[methyl(2-phenylethyl)amino]-1-[3-(trifluoromethyl)phenyl]pentan-1-ol?
The IUPAC name of 5-[methyl(2-phenylethyl)amino]-1-[3-(trifluoromethyl)phenyl]pentan-1-ol (CID 54543116) is 5-[methyl(2-phenylethyl)amino]-1-[3-(trifluoromethyl)phenyl]pentan-1-ol.
What is the SMILES notation for 5-[methyl(2-phenylethyl)amino]-1-[3-(trifluoromethyl)phenyl]pentan-1-ol?
The canonical SMILES for 5-[methyl(2-phenylethyl)amino]-1-[3-(trifluoromethyl)phenyl]pentan-1-ol is CN(CCCCC(O)c1cccc(C(F)(F)F)c1)CCc1ccccc1.
What is the InChIKey of 5-[methyl(2-phenylethyl)amino]-1-[3-(trifluoromethyl)phenyl]pentan-1-ol?
The InChIKey is ZEQFPZQCVVZQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3NO/c1-25(15-13-17-8-3-2-4-9-17)14-6-5-12-20(26)18-10-7-11-19(16-18)21(22,23)24/h2-4,7-11,16,20,26H,5-6,12-15H2,1H3.
What are the key properties of 5-[methyl(2-phenylethyl)amino]-1-[3-(trifluoromethyl)phenyl]pentan-1-ol?
5-[methyl(2-phenylethyl)amino]-1-[3-(trifluoromethyl)phenyl]pentan-1-ol has a molecular weight of 365.44 g/mol, XLogP of 5.08, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(2-phenylethyl)amino]-1-[3-(trifluoromethyl)phenyl]pentan-1-ol is sourced from PubChem (CID 54543116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).