2-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-4-methylphenol

C17H20FNO2 — CID 63324555

IUPAC2-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-4-methylphenol
SMILESCOc1ccc(C(C)NCc2cc(C)ccc2O)cc1F
InChIInChI=1S/C17H20FNO2/c1-11-4-6-16(20)14(8-11)10-19-12(2)13-5-7-17(21-3)15(18)9-13/h4-9,12,19-20H,10H2,1-3H3
InChIKeyNLUVTXJZIYCIFV-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.70
Rot. Bonds5

About 2-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-4-methylphenol

2-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-4-methylphenol (PubChem CID 63324555) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-4-methylphenol
PubChem CID63324555
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name2-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-4-methylphenol
SMILESCOc1ccc(C(C)NCc2cc(C)ccc2O)cc1F
InChIInChI=1S/C17H20FNO2/c1-11-4-6-16(20)14(8-11)10-19-12(2)13-5-7-17(21-3)15(18)9-13/h4-9,12,19-20H,10H2,1-3H3
InChIKeyNLUVTXJZIYCIFV-UHFFFAOYSA-N
XLogP3.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]-4-methylphenol
CID 81371547
2-bromo-4-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]phenol
CID 60669278
1-(3-fluoro-4-methoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 47010201
N-[(4-chloro-2-methylphenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 104853881
4-methyl-2-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 81360761
N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 43225807
1-(3-fluorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 43406776
2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol
CID 29039036
4-fluoro-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 107694502
N-[(2-bromo-5-chlorophenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 66159340
2-[[1-(3-hydroxyphenyl)ethylamino]methyl]-4-methylphenol
CID 63324815
2-[[1-(4-ethylphenyl)ethylamino]methyl]-4-methylphenol
CID 63327164

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-4-methylphenol?
The IUPAC name of 2-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-4-methylphenol (CID 63324555) is 2-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-4-methylphenol.
What is the SMILES notation for 2-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-4-methylphenol?
The canonical SMILES for 2-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-4-methylphenol is COc1ccc(C(C)NCc2cc(C)ccc2O)cc1F.
What is the InChIKey of 2-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-4-methylphenol?
The InChIKey is NLUVTXJZIYCIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-11-4-6-16(20)14(8-11)10-19-12(2)13-5-7-17(21-3)15(18)9-13/h4-9,12,19-20H,10H2,1-3H3.
What are the key properties of 2-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-4-methylphenol?
2-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-4-methylphenol has a molecular weight of 289.35 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-4-methylphenol is sourced from PubChem (CID 63324555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).