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

C22H21F2NO — CID 3751170

IUPAC1,1-bis(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]ethanol
SMILESCc1ccc(CNCC(O)(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H21F2NO/c1-16-2-4-17(5-3-16)14-25-15-22(26,18-6-10-20(23)11-7-18)19-8-12-21(24)13-9-19/h2-13,25-26H,14-15H2,1H3
InChIKeyYVNQTMSLLRGDEI-UHFFFAOYSA-N
MW353.41 g/mol
LogP4.30
Rot. Bonds6

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

1,1-bis(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]ethanol (PubChem CID 3751170) has the molecular formula C22H21F2NO and a molecular weight of 353.41 g/mol. Its IUPAC name is 1,1-bis(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]ethanol.

Molecular Properties

Compound Name1,1-bis(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]ethanol
PubChem CID3751170
Molecular FormulaC22H21F2NO
Molecular Weight353.41 g/mol
Exact Mass353.16
IUPAC Name1,1-bis(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]ethanol
SMILESCc1ccc(CNCC(O)(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H21F2NO/c1-16-2-4-17(5-3-16)14-25-15-22(26,18-6-10-20(23)11-7-18)19-8-12-21(24)13-9-19/h2-13,25-26H,14-15H2,1H3
InChIKeyYVNQTMSLLRGDEI-UHFFFAOYSA-N
XLogP4.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 23647917
CID 23647917
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CID 9866158
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CID 2729786
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CID 6459920
CID 6459920
CID 6464095
CID 6464095
CID 10089987
CID 10089987
CID 44426828
CID 44426828
CID 44430007
CID 44430007
CID 44430008
CID 44430008
CID 409246
CID 409246
CID 10249485
CID 10249485

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]ethanol?
The IUPAC name of 1,1-bis(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]ethanol (CID 3751170) is 1,1-bis(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]ethanol.
What is the SMILES notation for 1,1-bis(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]ethanol?
The canonical SMILES for 1,1-bis(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]ethanol is Cc1ccc(CNCC(O)(c2ccc(F)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1,1-bis(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]ethanol?
The InChIKey is YVNQTMSLLRGDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2NO/c1-16-2-4-17(5-3-16)14-25-15-22(26,18-6-10-20(23)11-7-18)19-8-12-21(24)13-9-19/h2-13,25-26H,14-15H2,1H3.
What are the key properties of 1,1-bis(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]ethanol?
1,1-bis(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]ethanol has a molecular weight of 353.41 g/mol, XLogP of 4.30, 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-[(4-methylphenyl)methylamino]ethanol is sourced from PubChem (CID 3751170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).