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

C17H20FNO2 — CID 75875456

IUPAC2-[(2-ethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol
SMILESCCOc1ccccc1CNCC(O)c1ccc(F)cc1
InChIInChI=1S/C17H20FNO2/c1-2-21-17-6-4-3-5-14(17)11-19-12-16(20)13-7-9-15(18)10-8-13/h3-10,16,19-20H,2,11-12H2,1H3
InChIKeyNZNFUZAGTLXKFA-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.05
Rot. Bonds7

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

2-[(2-ethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol (PubChem CID 75875456) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-[(2-ethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[(2-ethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol
PubChem CID75875456
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name2-[(2-ethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol
SMILESCCOc1ccccc1CNCC(O)c1ccc(F)cc1
InChIInChI=1S/C17H20FNO2/c1-2-21-17-6-4-3-5-14(17)11-19-12-16(20)13-7-9-15(18)10-8-13/h3-10,16,19-20H,2,11-12H2,1H3
InChIKeyNZNFUZAGTLXKFA-UHFFFAOYSA-N
XLogP3.05
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethylphenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 64681384
1-[2-(2-ethoxyphenyl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110929828
2-[(2-bromo-4,5-diethoxyphenyl)methylamino]-1-phenylethanol
CID 66533959
1-(3-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
CID 60896885
1-phenyl-2-[(2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17294540
1-phenyl-2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
CID 43220929
(2S)-1-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 927402
2-[(2,4-dimethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 73211515
(1S)-2-[(2-methoxyphenyl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 46893460
1-[2-[(2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 2967945
(1R)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 29186359
N-[(2-ethoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine;dihydrochloride
CID 171151385

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-[(2-ethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol (CID 75875456) is 2-[(2-ethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-[(2-ethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-[(2-ethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol is CCOc1ccccc1CNCC(O)c1ccc(F)cc1.
What is the InChIKey of 2-[(2-ethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol?
The InChIKey is NZNFUZAGTLXKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-2-21-17-6-4-3-5-14(17)11-19-12-16(20)13-7-9-15(18)10-8-13/h3-10,16,19-20H,2,11-12H2,1H3.
What are the key properties of 2-[(2-ethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol?
2-[(2-ethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol has a molecular weight of 289.35 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 75875456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).