2-[(4-fluorophenyl)methylamino]-1-(2,4,6-trimethylphenyl)ethanol

C18H22FNO — CID 82314891

IUPAC2-[(4-fluorophenyl)methylamino]-1-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)CNCc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C18H22FNO/c1-12-8-13(2)18(14(3)9-12)17(21)11-20-10-15-4-6-16(19)7-5-15/h4-9,17,20-21H,10-11H2,1-3H3
InChIKeyCIYIUNWSPCBAMP-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.57
Rot. Bonds5

About 2-[(4-fluorophenyl)methylamino]-1-(2,4,6-trimethylphenyl)ethanol

2-[(4-fluorophenyl)methylamino]-1-(2,4,6-trimethylphenyl)ethanol (PubChem CID 82314891) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylamino]-1-(2,4,6-trimethylphenyl)ethanol.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylamino]-1-(2,4,6-trimethylphenyl)ethanol
PubChem CID82314891
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name2-[(4-fluorophenyl)methylamino]-1-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)CNCc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C18H22FNO/c1-12-8-13(2)18(14(3)9-12)17(21)11-20-10-15-4-6-16(19)7-5-15/h4-9,17,20-21H,10-11H2,1-3H3
InChIKeyCIYIUNWSPCBAMP-UHFFFAOYSA-N
XLogP3.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(4-fluorophenyl)methylamino]-1-(2,4,6-trimethylphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 6926807
2-(propylamino)-1-(2,4,6-trimethylphenyl)ethanol
CID 62774498
2-[(4-fluorophenyl)methylamino]-1-(4-propylphenyl)ethanol
CID 82316019
2-(hydroxyamino)-1-(2,4,6-trimethylphenyl)ethanol
CID 82112148
2-(2,5-difluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 63893918
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481
1-[(4-fluorophenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 60632137
1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanol
CID 60918138
1-[2-[(4-fluorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17294524
2-[(3-chloro-4-fluorophenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 62538937
2-[[4-(difluoromethoxy)phenyl]methylamino]-1-(4-fluorophenyl)ethanol
CID 134033680
2-(4-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 107883521

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylamino]-1-(2,4,6-trimethylphenyl)ethanol?
The IUPAC name of 2-[(4-fluorophenyl)methylamino]-1-(2,4,6-trimethylphenyl)ethanol (CID 82314891) is 2-[(4-fluorophenyl)methylamino]-1-(2,4,6-trimethylphenyl)ethanol.
What is the SMILES notation for 2-[(4-fluorophenyl)methylamino]-1-(2,4,6-trimethylphenyl)ethanol?
The canonical SMILES for 2-[(4-fluorophenyl)methylamino]-1-(2,4,6-trimethylphenyl)ethanol is Cc1cc(C)c(C(O)CNCc2ccc(F)cc2)c(C)c1.
What is the InChIKey of 2-[(4-fluorophenyl)methylamino]-1-(2,4,6-trimethylphenyl)ethanol?
The InChIKey is CIYIUNWSPCBAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-12-8-13(2)18(14(3)9-12)17(21)11-20-10-15-4-6-16(19)7-5-15/h4-9,17,20-21H,10-11H2,1-3H3.
What are the key properties of 2-[(4-fluorophenyl)methylamino]-1-(2,4,6-trimethylphenyl)ethanol?
2-[(4-fluorophenyl)methylamino]-1-(2,4,6-trimethylphenyl)ethanol has a molecular weight of 287.38 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylamino]-1-(2,4,6-trimethylphenyl)ethanol is sourced from PubChem (CID 82314891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).