1-[3-fluoro-5-[(2S)-1-(methylamino)propan-2-yl]oxyphenyl]pentan-3-one

C15H22FNO2 — CID 126672003

IUPAC1-[3-fluoro-5-[(2S)-1-(methylamino)propan-2-yl]oxyphenyl]pentan-3-one
SMILESCCC(=O)CCc1cc(F)cc(O[C@@H](C)CNC)c1
InChIInChI=1S/C15H22FNO2/c1-4-14(18)6-5-12-7-13(16)9-15(8-12)19-11(2)10-17-3/h7-9,11,17H,4-6,10H2,1-3H3/t11-/m0/s1
InChIKeyJBVKDGDYPHMMMX-NSHDSACASA-N
MW267.34 g/mol
LogP2.72
Rot. Bonds8

About 1-[3-fluoro-5-[(2S)-1-(methylamino)propan-2-yl]oxyphenyl]pentan-3-one

1-[3-fluoro-5-[(2S)-1-(methylamino)propan-2-yl]oxyphenyl]pentan-3-one (PubChem CID 126672003) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-[3-fluoro-5-[(2S)-1-(methylamino)propan-2-yl]oxyphenyl]pentan-3-one.

Molecular Properties

Compound Name1-[3-fluoro-5-[(2S)-1-(methylamino)propan-2-yl]oxyphenyl]pentan-3-one
PubChem CID126672003
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-[3-fluoro-5-[(2S)-1-(methylamino)propan-2-yl]oxyphenyl]pentan-3-one
SMILESCCC(=O)CCc1cc(F)cc(O[C@@H](C)CNC)c1
InChIInChI=1S/C15H22FNO2/c1-4-14(18)6-5-12-7-13(16)9-15(8-12)19-11(2)10-17-3/h7-9,11,17H,4-6,10H2,1-3H3/t11-/m0/s1
InChIKeyJBVKDGDYPHMMMX-NSHDSACASA-N
XLogP2.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]butan-2-one
CID 135172487
1-[3-[2-(ethylamino)ethoxy]-5-fluorophenyl]-4-methylpentan-3-one
CID 126671921
2-(3,4-difluorophenoxy)-N-methylpropan-1-amine
CID 62485369
methyl 3-(3-fluoro-5-methoxyphenyl)propanoate
CID 68895290
4-(3,5-difluorophenoxy)pentan-2-one
CID 64697141
4-(3,5-difluorophenyl)-1-methoxybutan-2-one
CID 105404509
N-[2-(3,5-difluorophenoxy)propyl]pentan-2-amine
CID 62785273
N-[2-(4-fluorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide
CID 119804487
2-(4-ethylphenoxy)-N-methylpropan-1-amine
CID 54798642
N-[2-(3-fluorophenoxy)propyl]-4-(methylamino)butanamide
CID 119804736
(E)-4-[2-fluoro-5-[(2S)-1-(methylamino)propan-2-yl]oxyphenyl]but-3-en-2-one
CID 126672000
2-methyl-4-[1-(methylamino)propan-2-yloxy]benzamide
CID 81275945

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-[(2S)-1-(methylamino)propan-2-yl]oxyphenyl]pentan-3-one?
The IUPAC name of 1-[3-fluoro-5-[(2S)-1-(methylamino)propan-2-yl]oxyphenyl]pentan-3-one (CID 126672003) is 1-[3-fluoro-5-[(2S)-1-(methylamino)propan-2-yl]oxyphenyl]pentan-3-one.
What is the SMILES notation for 1-[3-fluoro-5-[(2S)-1-(methylamino)propan-2-yl]oxyphenyl]pentan-3-one?
The canonical SMILES for 1-[3-fluoro-5-[(2S)-1-(methylamino)propan-2-yl]oxyphenyl]pentan-3-one is CCC(=O)CCc1cc(F)cc(O[C@@H](C)CNC)c1.
What is the InChIKey of 1-[3-fluoro-5-[(2S)-1-(methylamino)propan-2-yl]oxyphenyl]pentan-3-one?
The InChIKey is JBVKDGDYPHMMMX-NSHDSACASA-N. The full InChI is InChI=1S/C15H22FNO2/c1-4-14(18)6-5-12-7-13(16)9-15(8-12)19-11(2)10-17-3/h7-9,11,17H,4-6,10H2,1-3H3/t11-/m0/s1.
What are the key properties of 1-[3-fluoro-5-[(2S)-1-(methylamino)propan-2-yl]oxyphenyl]pentan-3-one?
1-[3-fluoro-5-[(2S)-1-(methylamino)propan-2-yl]oxyphenyl]pentan-3-one has a molecular weight of 267.34 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-[(2S)-1-(methylamino)propan-2-yl]oxyphenyl]pentan-3-one is sourced from PubChem (CID 126672003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).