3-fluoro-5-[[2-(3-methoxyphenyl)ethylamino]methyl]phenol

C16H18FNO2 — CID 104878638

IUPAC3-fluoro-5-[[2-(3-methoxyphenyl)ethylamino]methyl]phenol
SMILESCOc1cccc(CCNCc2cc(O)cc(F)c2)c1
InChIInChI=1S/C16H18FNO2/c1-20-16-4-2-3-12(9-16)5-6-18-11-13-7-14(17)10-15(19)8-13/h2-4,7-10,18-19H,5-6,11H2,1H3
InChIKeyPFYCWAKHIYTURZ-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.87
Rot. Bonds6

About 3-fluoro-5-[[2-(3-methoxyphenyl)ethylamino]methyl]phenol

3-fluoro-5-[[2-(3-methoxyphenyl)ethylamino]methyl]phenol (PubChem CID 104878638) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 3-fluoro-5-[[2-(3-methoxyphenyl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[[2-(3-methoxyphenyl)ethylamino]methyl]phenol
PubChem CID104878638
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name3-fluoro-5-[[2-(3-methoxyphenyl)ethylamino]methyl]phenol
SMILESCOc1cccc(CCNCc2cc(O)cc(F)c2)c1
InChIInChI=1S/C16H18FNO2/c1-20-16-4-2-3-12(9-16)5-6-18-11-13-7-14(17)10-15(19)8-13/h2-4,7-10,18-19H,5-6,11H2,1H3
InChIKeyPFYCWAKHIYTURZ-UHFFFAOYSA-N
XLogP2.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 62315705
N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62315348
N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 52916342
2-(3-methoxyphenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 177381530
N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanamine
CID 39402896
2-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 39357471
2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17208566
N-[(2-ethylphenyl)methyl]-2-(3-methoxyphenyl)ethanamine
CID 107850248
2-(3-methoxyphenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 107852234
1-[2-(3-hydroxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 60602886
[1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105206782
N-(hydrazinylmethyl)-1-(3-methoxyphenyl)methanamine
CID 115260862

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[[2-(3-methoxyphenyl)ethylamino]methyl]phenol?
The IUPAC name of 3-fluoro-5-[[2-(3-methoxyphenyl)ethylamino]methyl]phenol (CID 104878638) is 3-fluoro-5-[[2-(3-methoxyphenyl)ethylamino]methyl]phenol.
What is the SMILES notation for 3-fluoro-5-[[2-(3-methoxyphenyl)ethylamino]methyl]phenol?
The canonical SMILES for 3-fluoro-5-[[2-(3-methoxyphenyl)ethylamino]methyl]phenol is COc1cccc(CCNCc2cc(O)cc(F)c2)c1.
What is the InChIKey of 3-fluoro-5-[[2-(3-methoxyphenyl)ethylamino]methyl]phenol?
The InChIKey is PFYCWAKHIYTURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-20-16-4-2-3-12(9-16)5-6-18-11-13-7-14(17)10-15(19)8-13/h2-4,7-10,18-19H,5-6,11H2,1H3.
What are the key properties of 3-fluoro-5-[[2-(3-methoxyphenyl)ethylamino]methyl]phenol?
3-fluoro-5-[[2-(3-methoxyphenyl)ethylamino]methyl]phenol has a molecular weight of 275.32 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[[2-(3-methoxyphenyl)ethylamino]methyl]phenol is sourced from PubChem (CID 104878638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).