1-[2-fluoro-6-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone

C17H18FNO — CID 60967598

IUPAC1-[2-fluoro-6-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1N(C)Cc1cccc(C)c1
InChIInChI=1S/C17H18FNO/c1-12-6-4-7-14(10-12)11-19(3)16-9-5-8-15(18)17(16)13(2)20/h4-10H,11H2,1-3H3
InChIKeyYHADGVOBFZUGTI-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.97
Rot. Bonds4

About 1-[2-fluoro-6-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone

1-[2-fluoro-6-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone (PubChem CID 60967598) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-[2-fluoro-6-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-6-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone
PubChem CID60967598
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name1-[2-fluoro-6-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1N(C)Cc1cccc(C)c1
InChIInChI=1S/C17H18FNO/c1-12-6-4-7-14(10-12)11-19(3)16-9-5-8-15(18)17(16)13(2)20/h4-10H,11H2,1-3H3
InChIKeyYHADGVOBFZUGTI-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanone
CID 61068200
1-[3-fluoro-4-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone
CID 61414179
3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]-2-nitroaniline
CID 61397771
1-[2-fluoro-6-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanone
CID 60678107
1-[2-fluoro-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanone
CID 43396772
1-[2-fluoro-6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]ethanone
CID 60678097
1-[2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanone
CID 63865522
2-[2-fluoro-N-[(3-methylphenyl)methyl]anilino]acetic acid
CID 39372088
2-bromo-6-[methyl-[(3-methylphenyl)methyl]amino]benzenecarbothioamide
CID 114882056
3-[(2-fluoro-N-methylanilino)methyl]phenol
CID 82978376
3-[3-[(N,2-dimethylanilino)methyl]phenyl]prop-2-enoic acid
CID 76931011
4-[methyl-[(3-methylphenyl)methyl]amino]butan-2-one
CID 62031141

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-6-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone (CID 60967598) is 1-[2-fluoro-6-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-6-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-6-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone is CC(=O)c1c(F)cccc1N(C)Cc1cccc(C)c1.
What is the InChIKey of 1-[2-fluoro-6-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone?
The InChIKey is YHADGVOBFZUGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-12-6-4-7-14(10-12)11-19(3)16-9-5-8-15(18)17(16)13(2)20/h4-10H,11H2,1-3H3.
What are the key properties of 1-[2-fluoro-6-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone?
1-[2-fluoro-6-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone has a molecular weight of 271.34 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone is sourced from PubChem (CID 60967598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).