5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpentan-1-amine

C13H17F4NO — CID 115517528

IUPAC5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpentan-1-amine
SMILESCNC(CCCC(F)(F)F)c1ccc(OC)cc1F
InChIInChI=1S/C13H17F4NO/c1-18-12(4-3-7-13(15,16)17)10-6-5-9(19-2)8-11(10)14/h5-6,8,12,18H,3-4,7H2,1-2H3
InChIKeyDSMWUHLQKLOMGV-UHFFFAOYSA-N
MW279.28 g/mol
LogP3.83
Rot. Bonds6

About 5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpentan-1-amine

5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpentan-1-amine (PubChem CID 115517528) has the molecular formula C13H17F4NO and a molecular weight of 279.28 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpentan-1-amine
PubChem CID115517528
Molecular FormulaC13H17F4NO
Molecular Weight279.28 g/mol
Exact Mass279.12
IUPAC Name5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpentan-1-amine
SMILESCNC(CCCC(F)(F)F)c1ccc(OC)cc1F
InChIInChI=1S/C13H17F4NO/c1-18-12(4-3-7-13(15,16)17)10-6-5-9(19-2)8-11(10)14/h5-6,8,12,18H,3-4,7H2,1-2H3
InChIKeyDSMWUHLQKLOMGV-UHFFFAOYSA-N
XLogP3.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)pentyl]hydrazine
CID 105256874
1-(2-fluoro-4-methoxyphenyl)-N,5-dimethylhexan-1-amine
CID 83162028
3,3,3-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine
CID 43561384
1-(2-fluoro-4-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 103395769
1-(2-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 103397395
4-(2,4-dimethoxyphenyl)-4-(methylamino)butan-1-ol
CID 116952940
1-(2-fluoro-4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 81304740
1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 43561357
2-(4-chlorophenoxy)-1-(2-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 103397391
1-(2-fluoro-4-methoxyphenyl)heptylhydrazine
CID 105256947
1-(2-fluoro-4-methylphenyl)-N,5,5-trimethylhexan-1-amine
CID 114210914
5,5,5-trifluoro-1-(5-fluoro-2-methylphenyl)-N-methylpentan-1-amine
CID 115516592

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpentan-1-amine (CID 115517528) is 5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpentan-1-amine is CNC(CCCC(F)(F)F)c1ccc(OC)cc1F.
What is the InChIKey of 5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpentan-1-amine?
The InChIKey is DSMWUHLQKLOMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F4NO/c1-18-12(4-3-7-13(15,16)17)10-6-5-9(19-2)8-11(10)14/h5-6,8,12,18H,3-4,7H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpentan-1-amine?
5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpentan-1-amine has a molecular weight of 279.28 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpentan-1-amine is sourced from PubChem (CID 115517528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).