3-fluoro-4-[1-[(3-methoxyphenyl)methylamino]ethyl]phenol

C16H18FNO2 — CID 107714930

IUPAC3-fluoro-4-[1-[(3-methoxyphenyl)methylamino]ethyl]phenol
SMILESCOc1cccc(CNC(C)c2ccc(O)cc2F)c1
InChIInChI=1S/C16H18FNO2/c1-11(15-7-6-13(19)9-16(15)17)18-10-12-4-3-5-14(8-12)20-2/h3-9,11,18-19H,10H2,1-2H3
InChIKeyFCIZAIMYORGFSU-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.39
Rot. Bonds5

About 3-fluoro-4-[1-[(3-methoxyphenyl)methylamino]ethyl]phenol

3-fluoro-4-[1-[(3-methoxyphenyl)methylamino]ethyl]phenol (PubChem CID 107714930) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 3-fluoro-4-[1-[(3-methoxyphenyl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[1-[(3-methoxyphenyl)methylamino]ethyl]phenol
PubChem CID107714930
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name3-fluoro-4-[1-[(3-methoxyphenyl)methylamino]ethyl]phenol
SMILESCOc1cccc(CNC(C)c2ccc(O)cc2F)c1
InChIInChI=1S/C16H18FNO2/c1-11(15-7-6-13(19)9-16(15)17)18-10-12-4-3-5-14(8-12)20-2/h3-9,11,18-19H,10H2,1-2H3
InChIKeyFCIZAIMYORGFSU-UHFFFAOYSA-N
XLogP3.39
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 103878320
3-[[1-(2-fluoro-4-methoxyphenyl)ethylamino]methyl]benzonitrile
CID 60918789
4-[1-[(4-ethylphenyl)methylamino]ethyl]-3-fluorophenol
CID 107715500
(1R)-1-(2,4-difluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 41061626
3-[(3-methoxyphenyl)methylamino]butan-1-ol
CID 78998469
2-[(3-methoxyphenyl)methylamino]propan-1-ol
CID 43499761
N-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43221152
5-methoxy-2-[1-[(4-methoxyphenyl)methylamino]ethyl]phenol
CID 43201039
(1S)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649457
(1R)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649459
methyl 3-[[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]methyl]benzoate
CID 124572671
(1R)-N-[(3,4-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376127

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[1-[(3-methoxyphenyl)methylamino]ethyl]phenol?
The IUPAC name of 3-fluoro-4-[1-[(3-methoxyphenyl)methylamino]ethyl]phenol (CID 107714930) is 3-fluoro-4-[1-[(3-methoxyphenyl)methylamino]ethyl]phenol.
What is the SMILES notation for 3-fluoro-4-[1-[(3-methoxyphenyl)methylamino]ethyl]phenol?
The canonical SMILES for 3-fluoro-4-[1-[(3-methoxyphenyl)methylamino]ethyl]phenol is COc1cccc(CNC(C)c2ccc(O)cc2F)c1.
What is the InChIKey of 3-fluoro-4-[1-[(3-methoxyphenyl)methylamino]ethyl]phenol?
The InChIKey is FCIZAIMYORGFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-11(15-7-6-13(19)9-16(15)17)18-10-12-4-3-5-14(8-12)20-2/h3-9,11,18-19H,10H2,1-2H3.
What are the key properties of 3-fluoro-4-[1-[(3-methoxyphenyl)methylamino]ethyl]phenol?
3-fluoro-4-[1-[(3-methoxyphenyl)methylamino]ethyl]phenol has a molecular weight of 275.32 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[1-[(3-methoxyphenyl)methylamino]ethyl]phenol is sourced from PubChem (CID 107714930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).