trifluoro-[3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]prop-1-en-2-yl]boranuide

C14H20BF3NO- — CID 106746134

IUPACtrifluoro-[3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]prop-1-en-2-yl]boranuide
SMILESC=C(CN(C)C(C)Cc1ccccc1OC)[B-](F)(F)F
InChIInChI=1S/C14H20BF3NO/c1-11(15(16,17)18)10-19(3)12(2)9-13-7-5-6-8-14(13)20-4/h5-8,12H,1,9-10H2,2-4H3/q-1
InChIKeyDNFYEXYUMRZEBE-UHFFFAOYSA-N
MW286.13 g/mol
LogP3.50
Rot. Bonds7

About trifluoro-[3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]prop-1-en-2-yl]boranuide

trifluoro-[3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]prop-1-en-2-yl]boranuide (PubChem CID 106746134) has the molecular formula C14H20BF3NO- and a molecular weight of 286.13 g/mol. Its IUPAC name is trifluoro-[3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Nametrifluoro-[3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]prop-1-en-2-yl]boranuide
PubChem CID106746134
Molecular FormulaC14H20BF3NO-
Molecular Weight286.13 g/mol
Exact Mass286.16
IUPAC Nametrifluoro-[3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]prop-1-en-2-yl]boranuide
SMILESC=C(CN(C)C(C)Cc1ccccc1OC)[B-](F)(F)F
InChIInChI=1S/C14H20BF3NO/c1-11(15(16,17)18)10-19(3)12(2)9-13-7-5-6-8-14(13)20-4/h5-8,12H,1,9-10H2,2-4H3/q-1
InChIKeyDNFYEXYUMRZEBE-UHFFFAOYSA-N
XLogP3.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-methoxyphenyl)propan-2-yl]-N,N'-dimethyl-2-methylidenepropane-1,3-diamine
CID 103070828
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine
CID 103070832
1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbutane-1,2-diamine
CID 65487594
5-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pentan-1-ol
CID 65486301
4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-methylbutan-2-ol
CID 79361996
methyl 3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-(methylamino)propanoate
CID 65486136
2-amino-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid
CID 65486323
3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propanenitrile
CID 65487029
4-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylbut-2-en-1-amine
CID 77070468
1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66454325
2-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]-N,2-dimethylpropanamide
CID 103029189
N-[(4-iodophenyl)methyl]-1-(2-methoxyphenyl)-N-methylpropan-2-amine
CID 65486312

Frequently Asked Questions

What is the IUPAC name of trifluoro-[3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]prop-1-en-2-yl]boranuide?
The IUPAC name of trifluoro-[3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]prop-1-en-2-yl]boranuide (CID 106746134) is trifluoro-[3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]prop-1-en-2-yl]boranuide.
What is the SMILES notation for trifluoro-[3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]prop-1-en-2-yl]boranuide?
The canonical SMILES for trifluoro-[3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]prop-1-en-2-yl]boranuide is C=C(CN(C)C(C)Cc1ccccc1OC)[B-](F)(F)F.
What is the InChIKey of trifluoro-[3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]prop-1-en-2-yl]boranuide?
The InChIKey is DNFYEXYUMRZEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BF3NO/c1-11(15(16,17)18)10-19(3)12(2)9-13-7-5-6-8-14(13)20-4/h5-8,12H,1,9-10H2,2-4H3/q-1.
What are the key properties of trifluoro-[3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]prop-1-en-2-yl]boranuide?
trifluoro-[3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]prop-1-en-2-yl]boranuide has a molecular weight of 286.13 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106746134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).