5,5,5-trifluoro-1-(5-fluoro-2-methylphenyl)-N-methylpentan-1-amine

C13H17F4N — CID 115516592

IUPAC5,5,5-trifluoro-1-(5-fluoro-2-methylphenyl)-N-methylpentan-1-amine
SMILESCNC(CCCC(F)(F)F)c1cc(F)ccc1C
InChIInChI=1S/C13H17F4N/c1-9-5-6-10(14)8-11(9)12(18-2)4-3-7-13(15,16)17/h5-6,8,12,18H,3-4,7H2,1-2H3
InChIKeyCHPLOELWVKWMFV-UHFFFAOYSA-N
MW263.28 g/mol
LogP4.13
Rot. Bonds5

About 5,5,5-trifluoro-1-(5-fluoro-2-methylphenyl)-N-methylpentan-1-amine

5,5,5-trifluoro-1-(5-fluoro-2-methylphenyl)-N-methylpentan-1-amine (PubChem CID 115516592) has the molecular formula C13H17F4N and a molecular weight of 263.28 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(5-fluoro-2-methylphenyl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(5-fluoro-2-methylphenyl)-N-methylpentan-1-amine
PubChem CID115516592
Molecular FormulaC13H17F4N
Molecular Weight263.28 g/mol
Exact Mass263.13
IUPAC Name5,5,5-trifluoro-1-(5-fluoro-2-methylphenyl)-N-methylpentan-1-amine
SMILESCNC(CCCC(F)(F)F)c1cc(F)ccc1C
InChIInChI=1S/C13H17F4N/c1-9-5-6-10(14)8-11(9)12(18-2)4-3-7-13(15,16)17/h5-6,8,12,18H,3-4,7H2,1-2H3
InChIKeyCHPLOELWVKWMFV-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethoxy-1-(5-fluoro-2-methylphenyl)-N-methylbutan-1-amine
CID 105142408
1-(5-fluoro-2-methylphenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 63416549
5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpentan-1-amine
CID 115517528
3-ethyl-1-(5-fluoro-2-methylphenyl)-N-methylheptan-1-amine
CID 63416460
1-(5-fluoro-2-methylphenyl)-N,5,5-trimethylhex-3-yn-1-amine
CID 114190250
1-(5-fluoro-2-methylphenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475580
1-(2,4-difluoro-5-methylphenyl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 79723863
1-(4-fluoro-2-methylphenyl)-N-methylheptan-1-amine
CID 81279034
1-(5-fluoro-2-methylphenyl)-N-propylhexan-1-amine
CID 63416508
3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 62791994
1-(2,5-dimethylphenyl)-N-methylpentan-1-amine
CID 43483753
5,5,5-trifluoro-N-methyl-1-(5-methylfuran-3-yl)pentan-1-amine
CID 105023879

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(5-fluoro-2-methylphenyl)-N-methylpentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-1-(5-fluoro-2-methylphenyl)-N-methylpentan-1-amine (CID 115516592) is 5,5,5-trifluoro-1-(5-fluoro-2-methylphenyl)-N-methylpentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(5-fluoro-2-methylphenyl)-N-methylpentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(5-fluoro-2-methylphenyl)-N-methylpentan-1-amine is CNC(CCCC(F)(F)F)c1cc(F)ccc1C.
What is the InChIKey of 5,5,5-trifluoro-1-(5-fluoro-2-methylphenyl)-N-methylpentan-1-amine?
The InChIKey is CHPLOELWVKWMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F4N/c1-9-5-6-10(14)8-11(9)12(18-2)4-3-7-13(15,16)17/h5-6,8,12,18H,3-4,7H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-1-(5-fluoro-2-methylphenyl)-N-methylpentan-1-amine?
5,5,5-trifluoro-1-(5-fluoro-2-methylphenyl)-N-methylpentan-1-amine has a molecular weight of 263.28 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(5-fluoro-2-methylphenyl)-N-methylpentan-1-amine is sourced from PubChem (CID 115516592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).