3-[benzyl(propan-2-yl)amino]-1-[4-(trifluoromethyl)phenyl]propan-1-ol

C20H24F3NO — CID 59570710

IUPAC3-[benzyl(propan-2-yl)amino]-1-[4-(trifluoromethyl)phenyl]propan-1-ol
SMILESCC(C)N(CCC(O)c1ccc(C(F)(F)F)cc1)Cc1ccccc1
InChIInChI=1S/C20H24F3NO/c1-15(2)24(14-16-6-4-3-5-7-16)13-12-19(25)17-8-10-18(11-9-17)20(21,22)23/h3-11,15,19,25H,12-14H2,1-2H3
InChIKeyMQSHLHIJCNQZBU-UHFFFAOYSA-N
MW351.41 g/mol
LogP5.04
Rot. Bonds7

About 3-[benzyl(propan-2-yl)amino]-1-[4-(trifluoromethyl)phenyl]propan-1-ol

3-[benzyl(propan-2-yl)amino]-1-[4-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 59570710) has the molecular formula C20H24F3NO and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-[benzyl(propan-2-yl)amino]-1-[4-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[benzyl(propan-2-yl)amino]-1-[4-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID59570710
Molecular FormulaC20H24F3NO
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name3-[benzyl(propan-2-yl)amino]-1-[4-(trifluoromethyl)phenyl]propan-1-ol
SMILESCC(C)N(CCC(O)c1ccc(C(F)(F)F)cc1)Cc1ccccc1
InChIInChI=1S/C20H24F3NO/c1-15(2)24(14-16-6-4-3-5-7-16)13-12-19(25)17-8-10-18(11-9-17)20(21,22)23/h3-11,15,19,25H,12-14H2,1-2H3
InChIKeyMQSHLHIJCNQZBU-UHFFFAOYSA-N
XLogP5.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.41
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3-[3,5-bis(trifluoromethyl)phenyl]-N-propan-2-ylbutan-1-amine
CID 143793924
3-[benzyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109031832
3-[benzyl(propan-2-yl)amino]-1-naphthalen-1-ylpropan-1-ol
CID 59570767
3-[benzyl(propan-2-yl)amino]-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 59570704
3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol
CID 62613763
N-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-N-methylacetamide
CID 130473847
1-(4-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 62630487
3-phenoxy-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 62790964
N-benzyl-N-(2-bromoethyl)propan-2-amine
CID 61289329
1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol
CID 59729414
(1R)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 10192650
4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 65091791

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-[4-(trifluoromethyl)phenyl]propan-1-ol (CID 59570710) is 3-[benzyl(propan-2-yl)amino]-1-[4-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-[benzyl(propan-2-yl)amino]-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 3-[benzyl(propan-2-yl)amino]-1-[4-(trifluoromethyl)phenyl]propan-1-ol is CC(C)N(CCC(O)c1ccc(C(F)(F)F)cc1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(propan-2-yl)amino]-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is MQSHLHIJCNQZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3NO/c1-15(2)24(14-16-6-4-3-5-7-16)13-12-19(25)17-8-10-18(11-9-17)20(21,22)23/h3-11,15,19,25H,12-14H2,1-2H3.
What are the key properties of 3-[benzyl(propan-2-yl)amino]-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
3-[benzyl(propan-2-yl)amino]-1-[4-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 351.41 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(propan-2-yl)amino]-1-[4-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 59570710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).