2-[(2-ethylphenyl)methylamino]-1-(4-fluorophenyl)ethanol

C17H20FNO — CID 64681384

IUPAC2-[(2-ethylphenyl)methylamino]-1-(4-fluorophenyl)ethanol
SMILESCCc1ccccc1CNCC(O)c1ccc(F)cc1
InChIInChI=1S/C17H20FNO/c1-2-13-5-3-4-6-15(13)11-19-12-17(20)14-7-9-16(18)10-8-14/h3-10,17,19-20H,2,11-12H2,1H3
InChIKeyFQLKOHXSTFKUDZ-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.21
Rot. Bonds6

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

2-[(2-ethylphenyl)methylamino]-1-(4-fluorophenyl)ethanol (PubChem CID 64681384) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-[(2-ethylphenyl)methylamino]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[(2-ethylphenyl)methylamino]-1-(4-fluorophenyl)ethanol
PubChem CID64681384
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name2-[(2-ethylphenyl)methylamino]-1-(4-fluorophenyl)ethanol
SMILESCCc1ccccc1CNCC(O)c1ccc(F)cc1
InChIInChI=1S/C17H20FNO/c1-2-13-5-3-4-6-15(13)11-19-12-17(20)14-7-9-16(18)10-8-14/h3-10,17,19-20H,2,11-12H2,1H3
InChIKeyFQLKOHXSTFKUDZ-UHFFFAOYSA-N
XLogP3.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-ethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 75875456
(1R)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 6926807
2-[(2,5-difluorophenyl)methylamino]-1-phenylethanol
CID 43499154
2-[(4-fluorophenyl)methylamino]-1-(4-propylphenyl)ethanol
CID 82316019
1-(4-fluorophenyl)-2-(2-phenylpropylamino)ethanol
CID 115577350
1-(4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 54594094
2-[(2-chloro-4-fluorophenyl)methylamino]-1-phenylethanol
CID 43393572
2-[(2-chlorophenyl)methylamino]-1-(4-propan-2-ylphenyl)ethanol
CID 60896560
2-[(2,3-difluorophenyl)methylamino]-1-phenylethanol
CID 43425224
1-(3-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
CID 60896885
(1S)-2-[(2-methoxyphenyl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 46893460
2-[(2,4-dimethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 73211515

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylphenyl)methylamino]-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-[(2-ethylphenyl)methylamino]-1-(4-fluorophenyl)ethanol (CID 64681384) is 2-[(2-ethylphenyl)methylamino]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-[(2-ethylphenyl)methylamino]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-[(2-ethylphenyl)methylamino]-1-(4-fluorophenyl)ethanol is CCc1ccccc1CNCC(O)c1ccc(F)cc1.
What is the InChIKey of 2-[(2-ethylphenyl)methylamino]-1-(4-fluorophenyl)ethanol?
The InChIKey is FQLKOHXSTFKUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-2-13-5-3-4-6-15(13)11-19-12-17(20)14-7-9-16(18)10-8-14/h3-10,17,19-20H,2,11-12H2,1H3.
What are the key properties of 2-[(2-ethylphenyl)methylamino]-1-(4-fluorophenyl)ethanol?
2-[(2-ethylphenyl)methylamino]-1-(4-fluorophenyl)ethanol has a molecular weight of 273.35 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylphenyl)methylamino]-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 64681384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).