4-(dimethylamino)-1-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol

C19H22F3NO — CID 163905024

IUPAC4-(dimethylamino)-1-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
SMILESCN(C)CCCC(O)(c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H22F3NO/c1-23(2)14-8-13-18(24,15-9-4-3-5-10-15)16-11-6-7-12-17(16)19(20,21)22/h3-7,9-12,24H,8,13-14H2,1-2H3
InChIKeyQNEDKOWFASXPOD-UHFFFAOYSA-N
MW337.39 g/mol
LogP4.28
Rot. Bonds6

About 4-(dimethylamino)-1-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol

4-(dimethylamino)-1-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol (PubChem CID 163905024) has the molecular formula C19H22F3NO and a molecular weight of 337.39 g/mol. Its IUPAC name is 4-(dimethylamino)-1-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol.

Molecular Properties

Compound Name4-(dimethylamino)-1-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
PubChem CID163905024
Molecular FormulaC19H22F3NO
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name4-(dimethylamino)-1-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
SMILESCN(C)CCCC(O)(c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H22F3NO/c1-23(2)14-8-13-18(24,15-9-4-3-5-10-15)16-11-6-7-12-17(16)19(20,21)22/h3-7,9-12,24H,8,13-14H2,1-2H3
InChIKeyQNEDKOWFASXPOD-UHFFFAOYSA-N
XLogP4.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 73415977
1-(3-chlorophenyl)-4-(dimethylamino)-1-phenylbutan-1-ol
CID 24834786
1-(5-chloro-2-methylsulfanylphenyl)-4-(dimethylamino)-1-phenylbutan-1-ol
CID 24834788
4-(dimethylamino)-1-(4-fluorophenyl)-1-[2-(hydroxymethyl)phenyl]butan-1-ol;oxalonitrile
CID 174662850
4-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-1-phenylbutan-1-ol
CID 19909925
6-(dimethylamino)-2,3-dimethyl-2-phenylhexan-3-ol
CID 11834795
1,1-bis(4-chlorophenyl)-4-(dimethylamino)butan-1-ol
CID 52946911
1-(4-chloronaphthalen-1-yl)-4-(dimethylamino)-1-pyridin-4-ylbutan-1-ol
CID 547158
4-[4-[[4-[4-(dimethylamino)-1-hydroxy-1-phenylbutyl]phenoxy]methyl]phenyl]benzoic acid
CID 52949336
4-(dimethylamino)-1-(4-fluorophenyl)-1-[4-(hydroxyiminomethyl)-2-(hydroxymethyl)-3-tritylphenyl]butan-1-ol
CID 87868442
4-(dimethylamino)-1-(2-ethyl-4-methylphenyl)-1-(4-fluorophenyl)butan-1-ol
CID 59994702
6-(dimethylamino)-2-methyl-1,3-diphenylhexan-3-ol
CID 70534520

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol?
The IUPAC name of 4-(dimethylamino)-1-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol (CID 163905024) is 4-(dimethylamino)-1-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol.
What is the SMILES notation for 4-(dimethylamino)-1-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol?
The canonical SMILES for 4-(dimethylamino)-1-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol is CN(C)CCCC(O)(c1ccccc1)c1ccccc1C(F)(F)F.
What is the InChIKey of 4-(dimethylamino)-1-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol?
The InChIKey is QNEDKOWFASXPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3NO/c1-23(2)14-8-13-18(24,15-9-4-3-5-10-15)16-11-6-7-12-17(16)19(20,21)22/h3-7,9-12,24H,8,13-14H2,1-2H3.
What are the key properties of 4-(dimethylamino)-1-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol?
4-(dimethylamino)-1-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol has a molecular weight of 337.39 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol is sourced from PubChem (CID 163905024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).