5-(dimethylamino)-2-[(R)-(4-fluorophenyl)-phenylmethyl]phenol

C21H20FNO — CID 134952768

IUPAC5-(dimethylamino)-2-[(R)-(4-fluorophenyl)-phenylmethyl]phenol
SMILESCN(C)c1ccc([C@H](c2ccccc2)c2ccc(F)cc2)c(O)c1
InChIInChI=1S/C21H20FNO/c1-23(2)18-12-13-19(20(24)14-18)21(15-6-4-3-5-7-15)16-8-10-17(22)11-9-16/h3-14,21,24H,1-2H3/t21-/m1/s1
InChIKeyAZXTYXBYVVPOEC-OAQYLSRUSA-N
MW321.40 g/mol
LogP4.78
Rot. Bonds4

About 5-(dimethylamino)-2-[(R)-(4-fluorophenyl)-phenylmethyl]phenol

5-(dimethylamino)-2-[(R)-(4-fluorophenyl)-phenylmethyl]phenol (PubChem CID 134952768) has the molecular formula C21H20FNO and a molecular weight of 321.40 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[(R)-(4-fluorophenyl)-phenylmethyl]phenol.

Molecular Properties

Compound Name5-(dimethylamino)-2-[(R)-(4-fluorophenyl)-phenylmethyl]phenol
PubChem CID134952768
Molecular FormulaC21H20FNO
Molecular Weight321.40 g/mol
Exact Mass321.15
IUPAC Name5-(dimethylamino)-2-[(R)-(4-fluorophenyl)-phenylmethyl]phenol
SMILESCN(C)c1ccc([C@H](c2ccccc2)c2ccc(F)cc2)c(O)c1
InChIInChI=1S/C21H20FNO/c1-23(2)18-12-13-19(20(24)14-18)21(15-6-4-3-5-7-15)16-8-10-17(22)11-9-16/h3-14,21,24H,1-2H3/t21-/m1/s1
InChIKeyAZXTYXBYVVPOEC-OAQYLSRUSA-N
XLogP4.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

C.I. 42555:1
CID 68050
Malachite Green carbinol
CID 10521
4-[Bis[4-(dimethylamino)phenyl]methyl]phenol
CID 221110
3-[(2S)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]phenol
CID 49850462
Benzenemethanol, 4-(dimethylamino)-alpha,alpha-diphenyl-
CID 614765
4-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}amino)methyl]phenol
CID 15953841
2-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}amino)methyl]phenol
CID 16049476
2-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}amino)methyl]-6-fluorophenol
CID 16049477
3-[(2R)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]phenol
CID 49850463
3-[(2S,5R)-2,5-dimethyl-4-(3-phenylpropyl)piperazin-1-yl]phenol
CID 53355391
3-[4-(3-Phenylpropyl)piperazin-1-yl]phenol
CID 54581113
3-[(2S,5S)-2,5-dimethyl-4-(3-phenylpropyl)piperazin-1-yl]phenol
CID 54583091

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[(R)-(4-fluorophenyl)-phenylmethyl]phenol?
The IUPAC name of 5-(dimethylamino)-2-[(R)-(4-fluorophenyl)-phenylmethyl]phenol (CID 134952768) is 5-(dimethylamino)-2-[(R)-(4-fluorophenyl)-phenylmethyl]phenol.
What is the SMILES notation for 5-(dimethylamino)-2-[(R)-(4-fluorophenyl)-phenylmethyl]phenol?
The canonical SMILES for 5-(dimethylamino)-2-[(R)-(4-fluorophenyl)-phenylmethyl]phenol is CN(C)c1ccc([C@H](c2ccccc2)c2ccc(F)cc2)c(O)c1.
What is the InChIKey of 5-(dimethylamino)-2-[(R)-(4-fluorophenyl)-phenylmethyl]phenol?
The InChIKey is AZXTYXBYVVPOEC-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H20FNO/c1-23(2)18-12-13-19(20(24)14-18)21(15-6-4-3-5-7-15)16-8-10-17(22)11-9-16/h3-14,21,24H,1-2H3/t21-/m1/s1.
What are the key properties of 5-(dimethylamino)-2-[(R)-(4-fluorophenyl)-phenylmethyl]phenol?
5-(dimethylamino)-2-[(R)-(4-fluorophenyl)-phenylmethyl]phenol has a molecular weight of 321.40 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[(R)-(4-fluorophenyl)-phenylmethyl]phenol is sourced from PubChem (CID 134952768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).