1-[3-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]phenyl]ethanone

C14H18FNO2 — CID 61432381

IUPAC1-[3-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)CC2CCCO2)c(F)c1
InChIInChI=1S/C14H18FNO2/c1-10(17)11-5-6-14(13(15)8-11)16(2)9-12-4-3-7-18-12/h5-6,8,12H,3-4,7,9H2,1-2H3
InChIKeyVMTRESMYXNZYNP-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.64
Rot. Bonds4

About 1-[3-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]phenyl]ethanone

1-[3-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]phenyl]ethanone (PubChem CID 61432381) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-[3-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]phenyl]ethanone
PubChem CID61432381
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-[3-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)CC2CCCO2)c(F)c1
InChIInChI=1S/C14H18FNO2/c1-10(17)11-5-6-14(13(15)8-11)16(2)9-12-4-3-7-18-12/h5-6,8,12H,3-4,7,9H2,1-2H3
InChIKeyVMTRESMYXNZYNP-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]benzonitrile
CID 61435760
4-(bromomethyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 107081234
4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 61432117
1-[3-fluoro-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanol
CID 61432196
4-(2-aminopropyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63817737
4-[(tert-butylamino)methyl]-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63059542
4-fluoro-1-N-methyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 61431331
3-methyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
CID 61432084
2-[methyl(oxolan-2-ylmethyl)amino]-5-(trifluoromethyl)benzoic acid
CID 62702531
2-fluoro-6-[methyl(oxan-2-ylmethyl)amino]benzoic acid
CID 79522764
4-[1-(ethylamino)ethyl]-2-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 61432233
(E)-3-[5-chloro-2-[methyl(oxolan-2-ylmethyl)amino]phenyl]prop-2-enoic acid
CID 114858254

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]phenyl]ethanone?
The IUPAC name of 1-[3-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]phenyl]ethanone (CID 61432381) is 1-[3-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[3-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]phenyl]ethanone is CC(=O)c1ccc(N(C)CC2CCCO2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]phenyl]ethanone?
The InChIKey is VMTRESMYXNZYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-10(17)11-5-6-14(13(15)8-11)16(2)9-12-4-3-7-18-12/h5-6,8,12H,3-4,7,9H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]phenyl]ethanone?
1-[3-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]phenyl]ethanone has a molecular weight of 251.30 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]phenyl]ethanone is sourced from PubChem (CID 61432381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).