1-(4-fluoro-3-methylphenyl)-2-[(2-methoxyphenyl)methylamino]ethanol

C17H20FNO2 — CID 82315000

IUPAC1-(4-fluoro-3-methylphenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
SMILESCOc1ccccc1CNCC(O)c1ccc(F)c(C)c1
InChIInChI=1S/C17H20FNO2/c1-12-9-13(7-8-15(12)18)16(20)11-19-10-14-5-3-4-6-17(14)21-2/h3-9,16,19-20H,10-11H2,1-2H3
InChIKeyQJLWVODMPZGZSE-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.97
Rot. Bonds6

About 1-(4-fluoro-3-methylphenyl)-2-[(2-methoxyphenyl)methylamino]ethanol

1-(4-fluoro-3-methylphenyl)-2-[(2-methoxyphenyl)methylamino]ethanol (PubChem CID 82315000) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-2-[(2-methoxyphenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
PubChem CID82315000
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name1-(4-fluoro-3-methylphenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
SMILESCOc1ccccc1CNCC(O)c1ccc(F)c(C)c1
InChIInChI=1S/C17H20FNO2/c1-12-9-13(7-8-15(12)18)16(20)11-19-10-14-5-3-4-6-17(14)21-2/h3-9,16,19-20H,10-11H2,1-2H3
InChIKeyQJLWVODMPZGZSE-UHFFFAOYSA-N
XLogP2.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
CID 60896885
1-(3-bromophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
CID 23647926
1-(3,4-dimethoxyphenyl)-2-[(2-methylphenyl)methylamino]ethanol
CID 10851837
2-[(2-methoxyphenyl)methylamino]-1-(2-methylphenyl)ethanol
CID 111118595
(1S)-2-[(2-methoxyphenyl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 46893460
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-(2-methoxyphenyl)acetamide
CID 55652673
(2S)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol
CID 1482360
(2R)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol
CID 1482361
1-(4-fluoro-3-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 55137062
4-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-fluoro-2-methylbenzene
CID 63543003
(1S)-2-[(2-bromophenyl)methylamino]-1-(3,4-dimethoxyphenyl)ethanol
CID 129390967
2-[(2,4-dimethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 73211515

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-[(2-methoxyphenyl)methylamino]ethanol?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-[(2-methoxyphenyl)methylamino]ethanol (CID 82315000) is 1-(4-fluoro-3-methylphenyl)-2-[(2-methoxyphenyl)methylamino]ethanol.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-2-[(2-methoxyphenyl)methylamino]ethanol?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-2-[(2-methoxyphenyl)methylamino]ethanol is COc1ccccc1CNCC(O)c1ccc(F)c(C)c1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-2-[(2-methoxyphenyl)methylamino]ethanol?
The InChIKey is QJLWVODMPZGZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-12-9-13(7-8-15(12)18)16(20)11-19-10-14-5-3-4-6-17(14)21-2/h3-9,16,19-20H,10-11H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-2-[(2-methoxyphenyl)methylamino]ethanol?
1-(4-fluoro-3-methylphenyl)-2-[(2-methoxyphenyl)methylamino]ethanol has a molecular weight of 289.35 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-2-[(2-methoxyphenyl)methylamino]ethanol is sourced from PubChem (CID 82315000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).