1,1-bis(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]ethanol

C21H18F3NO — CID 3671703

IUPAC1,1-bis(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]ethanol
SMILESOC(CNCc1ccccc1F)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H18F3NO/c22-18-9-5-16(6-10-18)21(26,17-7-11-19(23)12-8-17)14-25-13-15-3-1-2-4-20(15)24/h1-12,25-26H,13-14H2
InChIKeyMEZDYAUFXCCUST-UHFFFAOYSA-N
MW357.38 g/mol
LogP4.13
Rot. Bonds6

About 1,1-bis(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]ethanol

1,1-bis(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]ethanol (PubChem CID 3671703) has the molecular formula C21H18F3NO and a molecular weight of 357.38 g/mol. Its IUPAC name is 1,1-bis(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]ethanol.

Molecular Properties

Compound Name1,1-bis(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]ethanol
PubChem CID3671703
Molecular FormulaC21H18F3NO
Molecular Weight357.38 g/mol
Exact Mass357.13
IUPAC Name1,1-bis(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]ethanol
SMILESOC(CNCc1ccccc1F)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H18F3NO/c22-18-9-5-16(6-10-18)21(26,17-7-11-19(23)12-8-17)14-25-13-15-3-1-2-4-20(15)24/h1-12,25-26H,13-14H2
InChIKeyMEZDYAUFXCCUST-UHFFFAOYSA-N
XLogP4.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Pipradrol
CID 10083
4-Phenyl-1-(phenylmethyl)-4-piperidinol
CID 97333
Pipradrol Hydrochloride
CID 66008
Benzenemethanol, alpha-((bis(phenylmethyl)amino)methyl)-
CID 48897
1-Benzhydryl-4-phenylpiperidin-4-ol
CID 10269001
2-(Benzylamino)-1-[3-(trifluoromethyl)phenyl]ethan-1-ol
CID 23647917
2-{[(2-Methylphenyl)methyl]amino}-1-[3-(trifluoromethyl)phenyl]ethan-1-ol
CID 23647918
4-(2-(Aminomethyl)phenyl)-1-(bis(2-fluorophenyl)methyl)piperidin-4-ol
CID 9866158
2-(Benzylamino)-1-phenylethanol
CID 229746
4-(4-Fluorophenyl)-1,3-dimethyl-2,6-diphenylpiperidin-4-ol
CID 2729786
1-Benzhydryl-4-(4-fluorophenyl)piperidin-4-ol
CID 10089987
1-(1,2-Diphenylethyl)-4-phenylpiperidin-4-ol
CID 44426814

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]ethanol?
The IUPAC name of 1,1-bis(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]ethanol (CID 3671703) is 1,1-bis(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]ethanol.
What is the SMILES notation for 1,1-bis(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]ethanol?
The canonical SMILES for 1,1-bis(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]ethanol is OC(CNCc1ccccc1F)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1,1-bis(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]ethanol?
The InChIKey is MEZDYAUFXCCUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3NO/c22-18-9-5-16(6-10-18)21(26,17-7-11-19(23)12-8-17)14-25-13-15-3-1-2-4-20(15)24/h1-12,25-26H,13-14H2.
What are the key properties of 1,1-bis(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]ethanol?
1,1-bis(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]ethanol has a molecular weight of 357.38 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]ethanol is sourced from PubChem (CID 3671703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).