1-(4-fluoro-3-methylphenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

C13H16F5NO — CID 103475495

IUPAC1-(4-fluoro-3-methylphenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCNC(COCC(F)(F)C(F)F)c1ccc(F)c(C)c1
InChIInChI=1S/C13H16F5NO/c1-8-5-9(3-4-10(8)14)11(19-2)6-20-7-13(17,18)12(15)16/h3-5,11-12,19H,6-7H2,1-2H3
InChIKeyHAXBZZRAHVXTRM-UHFFFAOYSA-N
MW297.27 g/mol
LogP3.31
Rot. Bonds7

About 1-(4-fluoro-3-methylphenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

1-(4-fluoro-3-methylphenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (PubChem CID 103475495) has the molecular formula C13H16F5NO and a molecular weight of 297.27 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
PubChem CID103475495
Molecular FormulaC13H16F5NO
Molecular Weight297.27 g/mol
Exact Mass297.12
IUPAC Name1-(4-fluoro-3-methylphenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCNC(COCC(F)(F)C(F)F)c1ccc(F)c(C)c1
InChIInChI=1S/C13H16F5NO/c1-8-5-9(3-4-10(8)14)11(19-2)6-20-7-13(17,18)12(15)16/h3-5,11-12,19H,6-7H2,1-2H3
InChIKeyHAXBZZRAHVXTRM-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluorophenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475476
[1-(3-fluoro-4-methylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine
CID 107130927
1-(5-fluoro-2-methylphenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475580
1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine
CID 60929376
2-(4-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 105143051
1-(4-fluoro-3-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 103210363
1-(2,5-difluoro-4-methylphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103746481
1-(2,4-difluoro-5-methylphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207699
1-(4-fluoro-3-methylphenyl)-N,3-dimethylpentan-1-amine
CID 62601206
1-(4-fluoro-3-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 79746883
[2-(2,2,3,3-tetrafluoropropoxy)-1-(2,4,5-trimethylphenyl)ethyl]hydrazine
CID 103477603
1-(3-bromo-4-fluorophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475480

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (CID 103475495) is 1-(4-fluoro-3-methylphenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is CNC(COCC(F)(F)C(F)F)c1ccc(F)c(C)c1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The InChIKey is HAXBZZRAHVXTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F5NO/c1-8-5-9(3-4-10(8)14)11(19-2)6-20-7-13(17,18)12(15)16/h3-5,11-12,19H,6-7H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
1-(4-fluoro-3-methylphenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine has a molecular weight of 297.27 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is sourced from PubChem (CID 103475495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).