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

C14H18FNO — CID 63865522

IUPAC1-[2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1N(C)CC1CC1C
InChIInChI=1S/C14H18FNO/c1-9-7-11(9)8-16(3)13-6-4-5-12(15)14(13)10(2)17/h4-6,9,11H,7-8H2,1-3H3
InChIKeyPDELLGSFSBDWBU-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.12
Rot. Bonds4

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

1-[2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanone (PubChem CID 63865522) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-[2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanone
PubChem CID63865522
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-[2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1N(C)CC1CC1C
InChIInChI=1S/C14H18FNO/c1-9-7-11(9)8-16(3)13-6-4-5-12(15)14(13)10(2)17/h4-6,9,11H,7-8H2,1-3H3
InChIKeyPDELLGSFSBDWBU-UHFFFAOYSA-N
XLogP3.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]benzenecarboximidamide
CID 79519909
1-[2-fluoro-6-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone
CID 54942906
1-[2-fluoro-6-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone
CID 60967598
1-[2-fluoro-6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]ethanone
CID 60678097
2-fluoro-6-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]benzoic acid
CID 63860051
1-[2-fluoro-6-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanone
CID 60678107
1-[2-fluoro-6-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanone
CID 82739978
1-[2-fluoro-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanone
CID 43396772
1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanone
CID 61068200
2-fluoro-6-[methyl(oxan-2-ylmethyl)amino]benzoic acid
CID 79522764
1-[2-fluoro-6-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]phenyl]ethanone
CID 86818346
1-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-6-fluorophenyl]ethanone
CID 43648808

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanone (CID 63865522) is 1-[2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanone is CC(=O)c1c(F)cccc1N(C)CC1CC1C.
What is the InChIKey of 1-[2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanone?
The InChIKey is PDELLGSFSBDWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-9-7-11(9)8-16(3)13-6-4-5-12(15)14(13)10(2)17/h4-6,9,11H,7-8H2,1-3H3.
What are the key properties of 1-[2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanone?
1-[2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanone has a molecular weight of 235.30 g/mol, XLogP of 3.12, 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-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanone is sourced from PubChem (CID 63865522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).