2-[4-(4-methylphenyl)butan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol

C20H24F3NO — CID 44522678

IUPAC2-[4-(4-methylphenyl)butan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCc1ccc(CCC(C)NCC(O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H24F3NO/c1-14-6-9-16(10-7-14)11-8-15(2)24-13-19(25)17-4-3-5-18(12-17)20(21,22)23/h3-7,9-10,12,15,19,24-25H,8,11,13H2,1-2H3
InChIKeyUHGNRMGDNMUILJ-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.66
Rot. Bonds7

About 2-[4-(4-methylphenyl)butan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol

2-[4-(4-methylphenyl)butan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 44522678) has the molecular formula C20H24F3NO and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)butan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)butan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID44522678
Molecular FormulaC20H24F3NO
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name2-[4-(4-methylphenyl)butan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCc1ccc(CCC(C)NCC(O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H24F3NO/c1-14-6-9-16(10-7-14)11-8-15(2)24-13-19(25)17-4-3-5-18(12-17)20(21,22)23/h3-7,9-10,12,15,19,24-25H,8,11,13H2,1-2H3
InChIKeyUHGNRMGDNMUILJ-UHFFFAOYSA-N
XLogP4.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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DL-Ephedrine
CID 5032
DL-Ephedrine hydrochloride
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(-)-Pseudoephedrine
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d-Ephedrine
CID 9457
2-Amino-1-[3-(trifluoromethyl)phenyl]ethan-1-ol
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Pronetalol hydrochloride
CID 60975

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)butan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-[4-(4-methylphenyl)butan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol (CID 44522678) is 2-[4-(4-methylphenyl)butan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-[4-(4-methylphenyl)butan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-[4-(4-methylphenyl)butan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol is Cc1ccc(CCC(C)NCC(O)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)butan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is UHGNRMGDNMUILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3NO/c1-14-6-9-16(10-7-14)11-8-15(2)24-13-19(25)17-4-3-5-18(12-17)20(21,22)23/h3-7,9-10,12,15,19,24-25H,8,11,13H2,1-2H3.
What are the key properties of 2-[4-(4-methylphenyl)butan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
2-[4-(4-methylphenyl)butan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 351.41 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)butan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 44522678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).