1-(4-methylphenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol

C15H22F3NO — CID 62618647

IUPAC1-(4-methylphenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESCCCN(CCC(O)c1ccc(C)cc1)CC(F)(F)F
InChIInChI=1S/C15H22F3NO/c1-3-9-19(11-15(16,17)18)10-8-14(20)13-6-4-12(2)5-7-13/h4-7,14,20H,3,8-11H2,1-2H3
InChIKeyJSLJYDFKJUQUEH-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.69
Rot. Bonds7

About 1-(4-methylphenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol

1-(4-methylphenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol (PubChem CID 62618647) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
PubChem CID62618647
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name1-(4-methylphenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESCCCN(CCC(O)c1ccc(C)cc1)CC(F)(F)F
InChIInChI=1S/C15H22F3NO/c1-3-9-19(11-15(16,17)18)10-8-14(20)13-6-4-12(2)5-7-13/h4-7,14,20H,3,8-11H2,1-2H3
InChIKeyJSLJYDFKJUQUEH-UHFFFAOYSA-N
XLogP3.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 62628604
1-(3-chlorophenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 62623656
ethane;1-(4-methylphenyl)butan-1-ol
CID 143727962
3-[ethyl(propyl)amino]-1-(4-fluorophenyl)propan-1-ol
CID 55099258
1-(5-fluoro-2-pyridinyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 83126589
3-(dimethylamino)-1-(4-methylphenyl)propan-1-ol
CID 13013916
1-(4-chlorophenyl)-3-[ethyl(propyl)amino]propan-1-ol
CID 55099257
3-[cyclopropylmethyl(ethyl)amino]-1-(4-methylphenyl)propan-1-ol
CID 63940446
3-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-ol
CID 104554768
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 107487245
1-(4-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 62630487
1-(4-fluorophenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107520564

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The IUPAC name of 1-(4-methylphenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol (CID 62618647) is 1-(4-methylphenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol.
What is the SMILES notation for 1-(4-methylphenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The canonical SMILES for 1-(4-methylphenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol is CCCN(CCC(O)c1ccc(C)cc1)CC(F)(F)F.
What is the InChIKey of 1-(4-methylphenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The InChIKey is JSLJYDFKJUQUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-3-9-19(11-15(16,17)18)10-8-14(20)13-6-4-12(2)5-7-13/h4-7,14,20H,3,8-11H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
1-(4-methylphenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol has a molecular weight of 289.34 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol is sourced from PubChem (CID 62618647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).