4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N,N-dimethylbenzamide

C13H19FN2O2 — CID 134395435

IUPAC4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N,N-dimethylbenzamide
SMILESCO[C@H](c1ccc(C(=O)N(C)C)cc1)[C@H](N)CF
InChIInChI=1S/C13H19FN2O2/c1-16(2)13(17)10-6-4-9(5-7-10)12(18-3)11(15)8-14/h4-7,11-12H,8,15H2,1-3H3/t11-,12-/m1/s1
InChIKeyMBONVOZOGJBHMU-VXGBXAGGSA-N
MW254.30 g/mol
LogP1.37
Rot. Bonds5

About 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N,N-dimethylbenzamide

4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N,N-dimethylbenzamide (PubChem CID 134395435) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N,N-dimethylbenzamide
PubChem CID134395435
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N,N-dimethylbenzamide
SMILESCO[C@H](c1ccc(C(=O)N(C)C)cc1)[C@H](N)CF
InChIInChI=1S/C13H19FN2O2/c1-16(2)13(17)10-6-4-9(5-7-10)12(18-3)11(15)8-14/h4-7,11-12H,8,15H2,1-3H3/t11-,12-/m1/s1
InChIKeyMBONVOZOGJBHMU-VXGBXAGGSA-N
XLogP1.37
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(dimethylcarbamoyl)phenyl]-methoxymethyl]-N,N-dimethylbenzamide
CID 59165706
4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]aniline
CID 134395559
3-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]-4-hydroxycyclobut-3-ene-1,2-dione
CID 145467661
4-[amino-(4-ethylphenyl)methyl]-N,N-dimethylbenzamide
CID 66820082
2-[4-(dimethylcarbamoyl)phenyl]propyl 4-propan-2-ylbenzoate
CID 155243194
N-[[(5S)-3-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 145467368
4-(1-amino-5-methylhexan-3-yl)-N,N-dimethylbenzamide;propane
CID 177354297
N,N-dimethyl-4-[(1R)-1-phenylethyl]benzamide
CID 134961348
N,N-dimethyl-4-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]benzamide
CID 158611008
N-(2-amino-3-methoxypropyl)-N-methyl-4-propan-2-ylbenzamide
CID 63754011
4-[(R)-amino-(3-bromophenyl)methyl]-N,N-dimethylbenzamide
CID 129386216
4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride
CID 120709297

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N,N-dimethylbenzamide (CID 134395435) is 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N,N-dimethylbenzamide is CO[C@H](c1ccc(C(=O)N(C)C)cc1)[C@H](N)CF.
What is the InChIKey of 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N,N-dimethylbenzamide?
The InChIKey is MBONVOZOGJBHMU-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-16(2)13(17)10-6-4-9(5-7-10)12(18-3)11(15)8-14/h4-7,11-12H,8,15H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N,N-dimethylbenzamide?
4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N,N-dimethylbenzamide has a molecular weight of 254.30 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 134395435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).