1-[5-fluoro-4-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]phenyl]ethanone

C15H22FNO2 — CID 81055237

IUPAC1-[5-fluoro-4-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]phenyl]ethanone
SMILESCC(=O)c1cc(F)c(C)cc1N(C)CCOC(C)C
InChIInChI=1S/C15H22FNO2/c1-10(2)19-7-6-17(5)15-8-11(3)14(16)9-13(15)12(4)18/h8-10H,6-7H2,1-5H3
InChIKeyOJTYPYDATBKIKF-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.20
Rot. Bonds6

About 1-[5-fluoro-4-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]phenyl]ethanone

1-[5-fluoro-4-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]phenyl]ethanone (PubChem CID 81055237) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-[5-fluoro-4-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-4-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]phenyl]ethanone
PubChem CID81055237
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-[5-fluoro-4-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]phenyl]ethanone
SMILESCC(=O)c1cc(F)c(C)cc1N(C)CCOC(C)C
InChIInChI=1S/C15H22FNO2/c1-10(2)19-7-6-17(5)15-8-11(3)14(16)9-13(15)12(4)18/h8-10H,6-7H2,1-5H3
InChIKeyOJTYPYDATBKIKF-UHFFFAOYSA-N
XLogP3.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-4-fluoro-5-[methyl(2-propan-2-yloxyethyl)amino]benzoate
CID 81062018
2-fluoro-5-[methyl(2-propan-2-yloxyethyl)amino]-4-nitrobenzoic acid
CID 104700070
2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]benzoic acid
CID 81056950
3-fluoro-N'-hydroxy-4-[methyl(2-propan-2-yloxyethyl)amino]benzenecarboximidamide
CID 81055754
5-chloro-2-[methyl(2-propan-2-yloxyethyl)amino]benzenecarbothioamide
CID 81056708
2-fluoro-6-[methyl(2-propan-2-yloxyethyl)amino]benzenecarbothioamide
CID 81055307
4-bromo-2-[methyl(2-propan-2-yloxyethyl)amino]benzenecarbothioamide
CID 114903400
4-chloro-5-fluoro-2-N-methyl-2-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine
CID 114089060
5-fluoro-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid
CID 114034507
1-[2-[2-ethoxyethyl(methyl)amino]-5-fluorophenyl]ethanone
CID 81056093
4-fluoro-2-N-methyl-2-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine
CID 81058264
3,5-difluoro-4-[methyl(2-propan-2-yloxyethyl)amino]benzaldehyde
CID 81055899

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-4-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]phenyl]ethanone?
The IUPAC name of 1-[5-fluoro-4-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]phenyl]ethanone (CID 81055237) is 1-[5-fluoro-4-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[5-fluoro-4-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[5-fluoro-4-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]phenyl]ethanone is CC(=O)c1cc(F)c(C)cc1N(C)CCOC(C)C.
What is the InChIKey of 1-[5-fluoro-4-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]phenyl]ethanone?
The InChIKey is OJTYPYDATBKIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-10(2)19-7-6-17(5)15-8-11(3)14(16)9-13(15)12(4)18/h8-10H,6-7H2,1-5H3.
What are the key properties of 1-[5-fluoro-4-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]phenyl]ethanone?
1-[5-fluoro-4-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]phenyl]ethanone has a molecular weight of 267.34 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-4-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]phenyl]ethanone is sourced from PubChem (CID 81055237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).