1-(4,5-dimethoxy-2-methylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine

C13H16F5NO2 — CID 43626707

IUPAC1-(4,5-dimethoxy-2-methylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
SMILESCNC(c1cc(OC)c(OC)cc1C)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H16F5NO2/c1-7-5-9(20-3)10(21-4)6-8(7)11(19-2)12(14,15)13(16,17)18/h5-6,11,19H,1-4H3
InChIKeyPSNOGUOAZGWZEV-UHFFFAOYSA-N
MW313.27 g/mol
LogP3.47
Rot. Bonds5

About 1-(4,5-dimethoxy-2-methylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine

1-(4,5-dimethoxy-2-methylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine (PubChem CID 43626707) has the molecular formula C13H16F5NO2 and a molecular weight of 313.27 g/mol. Its IUPAC name is 1-(4,5-dimethoxy-2-methylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4,5-dimethoxy-2-methylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
PubChem CID43626707
Molecular FormulaC13H16F5NO2
Molecular Weight313.27 g/mol
Exact Mass313.11
IUPAC Name1-(4,5-dimethoxy-2-methylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
SMILESCNC(c1cc(OC)c(OC)cc1C)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H16F5NO2/c1-7-5-9(20-3)10(21-4)6-8(7)11(19-2)12(14,15)13(16,17)18/h5-6,11,19H,1-4H3
InChIKeyPSNOGUOAZGWZEV-UHFFFAOYSA-N
XLogP3.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 43626719
1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylbutan-1-amine
CID 62678421
1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949042
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
CID 103394560
1-(4-methoxy-2,5-dimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 116954031
1-bromo-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine
CID 116961940
1-(2-fluoro-4,5-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 62867797
1-(5-tert-butyl-4-methoxy-2-methylphenyl)-N-methylethanamine
CID 82496678
1-(4,5-dimethoxy-2-methylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116948581
1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 43626718
1-(4,5-dimethoxy-2-methylphenyl)-N,4-dimethylpentan-1-amine
CID 43626705
3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(methylamino)propan-2-ol
CID 116957681

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine?
The IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine (CID 43626707) is 1-(4,5-dimethoxy-2-methylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine.
What is the SMILES notation for 1-(4,5-dimethoxy-2-methylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine?
The canonical SMILES for 1-(4,5-dimethoxy-2-methylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine is CNC(c1cc(OC)c(OC)cc1C)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(4,5-dimethoxy-2-methylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine?
The InChIKey is PSNOGUOAZGWZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F5NO2/c1-7-5-9(20-3)10(21-4)6-8(7)11(19-2)12(14,15)13(16,17)18/h5-6,11,19H,1-4H3.
What are the key properties of 1-(4,5-dimethoxy-2-methylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine?
1-(4,5-dimethoxy-2-methylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine has a molecular weight of 313.27 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethoxy-2-methylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine is sourced from PubChem (CID 43626707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).