5-fluoro-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol

C17H20FNO — CID 63068009

IUPAC5-fluoro-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol
SMILESCc1cccc(CCNC(C)c2ccc(F)cc2O)c1
InChIInChI=1S/C17H20FNO/c1-12-4-3-5-14(10-12)8-9-19-13(2)16-7-6-15(18)11-17(16)20/h3-7,10-11,13,19-20H,8-9H2,1-2H3
InChIKeyUNHNIDFZDMPVHJ-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.73
Rot. Bonds5

About 5-fluoro-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol

5-fluoro-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol (PubChem CID 63068009) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 5-fluoro-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol
PubChem CID63068009
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name5-fluoro-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol
SMILESCc1cccc(CCNC(C)c2ccc(F)cc2O)c1
InChIInChI=1S/C17H20FNO/c1-12-4-3-5-14(10-12)8-9-19-13(2)16-7-6-15(18)11-17(16)20/h3-7,10-11,13,19-20H,8-9H2,1-2H3
InChIKeyUNHNIDFZDMPVHJ-UHFFFAOYSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[2-(3-methylphenyl)ethylamino]ethyl]benzene-1,3-diol
CID 62314440
5-methoxy-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol
CID 62314441
5-fluoro-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol
CID 63068848
5-fluoro-2-[1-(propylamino)ethyl]phenol
CID 63064581
1-(2-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62315352
1-(2,5-dimethylfuran-3-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62314080
1-(2-ethoxyphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62315350
N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62315169
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 63477985
1-(2,4-difluorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol
CID 62315194
1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43401433

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol?
The IUPAC name of 5-fluoro-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol (CID 63068009) is 5-fluoro-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol?
The canonical SMILES for 5-fluoro-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol is Cc1cccc(CCNC(C)c2ccc(F)cc2O)c1.
What is the InChIKey of 5-fluoro-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol?
The InChIKey is UNHNIDFZDMPVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-12-4-3-5-14(10-12)8-9-19-13(2)16-7-6-15(18)11-17(16)20/h3-7,10-11,13,19-20H,8-9H2,1-2H3.
What are the key properties of 5-fluoro-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol?
5-fluoro-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol has a molecular weight of 273.35 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol is sourced from PubChem (CID 63068009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).