1-[2-fluoro-6-[[2-(propoxymethyl)phenyl]methylamino]phenyl]ethanone

C19H22FNO2 — CID 52679199

IUPAC1-[2-fluoro-6-[[2-(propoxymethyl)phenyl]methylamino]phenyl]ethanone
SMILESCCCOCc1ccccc1CNc1cccc(F)c1C(C)=O
InChIInChI=1S/C19H22FNO2/c1-3-11-23-13-16-8-5-4-7-15(16)12-21-18-10-6-9-17(20)19(18)14(2)22/h4-10,21H,3,11-13H2,1-2H3
InChIKeyAVMBDDHMYMXXKW-UHFFFAOYSA-N
MW315.39 g/mol
LogP4.57
Rot. Bonds8

About 1-[2-fluoro-6-[[2-(propoxymethyl)phenyl]methylamino]phenyl]ethanone

1-[2-fluoro-6-[[2-(propoxymethyl)phenyl]methylamino]phenyl]ethanone (PubChem CID 52679199) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 1-[2-fluoro-6-[[2-(propoxymethyl)phenyl]methylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-6-[[2-(propoxymethyl)phenyl]methylamino]phenyl]ethanone
PubChem CID52679199
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name1-[2-fluoro-6-[[2-(propoxymethyl)phenyl]methylamino]phenyl]ethanone
SMILESCCCOCc1ccccc1CNc1cccc(F)c1C(C)=O
InChIInChI=1S/C19H22FNO2/c1-3-11-23-13-16-8-5-4-7-15(16)12-21-18-10-6-9-17(20)19(18)14(2)22/h4-10,21H,3,11-13H2,1-2H3
InChIKeyAVMBDDHMYMXXKW-UHFFFAOYSA-N
XLogP4.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-6-[[2-(propoxymethyl)phenyl]methylamino]benzonitrile
CID 52679192
1-[2-(benzylamino)-6-fluorophenyl]ethanone
CID 52521850
N-[[2-(propoxymethyl)phenyl]methyl]-2-(trifluoromethylsulfonyl)aniline
CID 52679215
1-[2-(2-ethoxyethylamino)-6-fluorophenyl]ethanone
CID 78897897
1-[2-fluoro-6-[(2-phenylmethoxy-4-pyridinyl)methylamino]phenyl]ethanone
CID 60505202
N-[2-[(2,3-difluorophenyl)methylamino]phenyl]-N-methylacetamide
CID 71978040
(2S)-2-amino-3,3-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]butanamide
CID 119734224
2-fluoro-N-[(2-propoxyphenyl)methyl]aniline
CID 39360343
1-[2-fluoro-6-(methylaminomethyl)phenyl]ethanone
CID 166978041
2-amino-N-[[2-(propoxymethyl)phenyl]methyl]benzamide;hydrochloride
CID 119944739
1-[2-fluoro-6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]phenyl]ethanone
CID 133331272
N-[(2-fluorophenyl)methyl]-2-pentoxyaniline
CID 83961637

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-[[2-(propoxymethyl)phenyl]methylamino]phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-6-[[2-(propoxymethyl)phenyl]methylamino]phenyl]ethanone (CID 52679199) is 1-[2-fluoro-6-[[2-(propoxymethyl)phenyl]methylamino]phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-6-[[2-(propoxymethyl)phenyl]methylamino]phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-6-[[2-(propoxymethyl)phenyl]methylamino]phenyl]ethanone is CCCOCc1ccccc1CNc1cccc(F)c1C(C)=O.
What is the InChIKey of 1-[2-fluoro-6-[[2-(propoxymethyl)phenyl]methylamino]phenyl]ethanone?
The InChIKey is AVMBDDHMYMXXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-3-11-23-13-16-8-5-4-7-15(16)12-21-18-10-6-9-17(20)19(18)14(2)22/h4-10,21H,3,11-13H2,1-2H3.
What are the key properties of 1-[2-fluoro-6-[[2-(propoxymethyl)phenyl]methylamino]phenyl]ethanone?
1-[2-fluoro-6-[[2-(propoxymethyl)phenyl]methylamino]phenyl]ethanone has a molecular weight of 315.39 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-[[2-(propoxymethyl)phenyl]methylamino]phenyl]ethanone is sourced from PubChem (CID 52679199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).