5,5,5-trifluoro-N-methyl-1-(3-propan-2-yloxyphenyl)pentan-1-amine

C15H22F3NO — CID 105024061

IUPAC5,5,5-trifluoro-N-methyl-1-(3-propan-2-yloxyphenyl)pentan-1-amine
SMILESCNC(CCCC(F)(F)F)c1cccc(OC(C)C)c1
InChIInChI=1S/C15H22F3NO/c1-11(2)20-13-7-4-6-12(10-13)14(19-3)8-5-9-15(16,17)18/h4,6-7,10-11,14,19H,5,8-9H2,1-3H3
InChIKeyWMWOBIWJWBOYGN-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.47
Rot. Bonds7

About 5,5,5-trifluoro-N-methyl-1-(3-propan-2-yloxyphenyl)pentan-1-amine

5,5,5-trifluoro-N-methyl-1-(3-propan-2-yloxyphenyl)pentan-1-amine (PubChem CID 105024061) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-methyl-1-(3-propan-2-yloxyphenyl)pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-methyl-1-(3-propan-2-yloxyphenyl)pentan-1-amine
PubChem CID105024061
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name5,5,5-trifluoro-N-methyl-1-(3-propan-2-yloxyphenyl)pentan-1-amine
SMILESCNC(CCCC(F)(F)F)c1cccc(OC(C)C)c1
InChIInChI=1S/C15H22F3NO/c1-11(2)20-13-7-4-6-12(10-13)14(19-3)8-5-9-15(16,17)18/h4,6-7,10-11,14,19H,5,8-9H2,1-3H3
InChIKeyWMWOBIWJWBOYGN-UHFFFAOYSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-difluoroethoxy)-N-methyl-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 103149327
1-[3-(difluoromethoxy)phenyl]-N-methylnonan-1-amine
CID 115835552
1-[3-(difluoromethoxy)phenyl]-N,4-dimethylpent-4-en-1-amine
CID 105039557
ethyl 2-(methylamino)-2-(3-propan-2-yloxyphenyl)acetate
CID 61212076
1-(3-chloro-4-fluorophenyl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 115516717
2-cyclobutyl-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 115863611
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 105023810
2-(4-bromophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 63527212
1-(3-propan-2-yloxyphenyl)nonylhydrazine
CID 105294357
2,2,2-trifluoro-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 62729345
2-(furan-2-yl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 105029351
(1S)-1-(3-propan-2-yloxyphenyl)ethanol
CID 75358098

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-methyl-1-(3-propan-2-yloxyphenyl)pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-N-methyl-1-(3-propan-2-yloxyphenyl)pentan-1-amine (CID 105024061) is 5,5,5-trifluoro-N-methyl-1-(3-propan-2-yloxyphenyl)pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-methyl-1-(3-propan-2-yloxyphenyl)pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-N-methyl-1-(3-propan-2-yloxyphenyl)pentan-1-amine is CNC(CCCC(F)(F)F)c1cccc(OC(C)C)c1.
What is the InChIKey of 5,5,5-trifluoro-N-methyl-1-(3-propan-2-yloxyphenyl)pentan-1-amine?
The InChIKey is WMWOBIWJWBOYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-11(2)20-13-7-4-6-12(10-13)14(19-3)8-5-9-15(16,17)18/h4,6-7,10-11,14,19H,5,8-9H2,1-3H3.
What are the key properties of 5,5,5-trifluoro-N-methyl-1-(3-propan-2-yloxyphenyl)pentan-1-amine?
5,5,5-trifluoro-N-methyl-1-(3-propan-2-yloxyphenyl)pentan-1-amine has a molecular weight of 289.34 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-methyl-1-(3-propan-2-yloxyphenyl)pentan-1-amine is sourced from PubChem (CID 105024061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).