1-[4-fluoro-3-[(2-methoxyphenyl)methylamino]phenyl]ethanone

C16H16FNO2 — CID 82535518

IUPAC1-[4-fluoro-3-[(2-methoxyphenyl)methylamino]phenyl]ethanone
SMILESCOc1ccccc1CNc1cc(C(C)=O)ccc1F
InChIInChI=1S/C16H16FNO2/c1-11(19)12-7-8-14(17)15(9-12)18-10-13-5-3-4-6-16(13)20-2/h3-9,18H,10H2,1-2H3
InChIKeyVMWUHTNBKOYKSU-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.65
Rot. Bonds5

About 1-[4-fluoro-3-[(2-methoxyphenyl)methylamino]phenyl]ethanone

1-[4-fluoro-3-[(2-methoxyphenyl)methylamino]phenyl]ethanone (PubChem CID 82535518) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-[4-fluoro-3-[(2-methoxyphenyl)methylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-fluoro-3-[(2-methoxyphenyl)methylamino]phenyl]ethanone
PubChem CID82535518
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name1-[4-fluoro-3-[(2-methoxyphenyl)methylamino]phenyl]ethanone
SMILESCOc1ccccc1CNc1cc(C(C)=O)ccc1F
InChIInChI=1S/C16H16FNO2/c1-11(19)12-7-8-14(17)15(9-12)18-10-13-5-3-4-6-16(13)20-2/h3-9,18H,10H2,1-2H3
InChIKeyVMWUHTNBKOYKSU-UHFFFAOYSA-N
XLogP3.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-5-[(2-methoxyphenyl)methylamino]benzoic acid
CID 43737081
methyl 4-amino-3-[(2-methoxyphenyl)methylamino]benzoate
CID 82775514
4-amino-3-[(2-methoxyphenyl)methylamino]benzamide
CID 63355954
3,5-difluoro-4-[(2-methoxyphenyl)methylamino]benzoic acid
CID 63183498
3-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]-4-methoxybenzoic acid
CID 17059187
2-fluoro-5-methoxy-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-diamine
CID 107258624
3-[(2-ethylphenyl)methylamino]-4-fluorobenzoic acid
CID 62391430
methyl 4-fluoro-2-[(2-methoxyphenyl)methylamino]benzoate
CID 43735149
4-acetyl-2-[(5-chloro-2-methoxyphenyl)methylamino]benzonitrile
CID 133456273
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 82539043
3-amino-4-[(2-methoxyphenyl)methylamino]benzamide
CID 43448336
N-(3,4-difluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157129

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-[(2-methoxyphenyl)methylamino]phenyl]ethanone?
The IUPAC name of 1-[4-fluoro-3-[(2-methoxyphenyl)methylamino]phenyl]ethanone (CID 82535518) is 1-[4-fluoro-3-[(2-methoxyphenyl)methylamino]phenyl]ethanone.
What is the SMILES notation for 1-[4-fluoro-3-[(2-methoxyphenyl)methylamino]phenyl]ethanone?
The canonical SMILES for 1-[4-fluoro-3-[(2-methoxyphenyl)methylamino]phenyl]ethanone is COc1ccccc1CNc1cc(C(C)=O)ccc1F.
What is the InChIKey of 1-[4-fluoro-3-[(2-methoxyphenyl)methylamino]phenyl]ethanone?
The InChIKey is VMWUHTNBKOYKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-11(19)12-7-8-14(17)15(9-12)18-10-13-5-3-4-6-16(13)20-2/h3-9,18H,10H2,1-2H3.
What are the key properties of 1-[4-fluoro-3-[(2-methoxyphenyl)methylamino]phenyl]ethanone?
1-[4-fluoro-3-[(2-methoxyphenyl)methylamino]phenyl]ethanone has a molecular weight of 273.31 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-[(2-methoxyphenyl)methylamino]phenyl]ethanone is sourced from PubChem (CID 82535518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).