N-(2,2,2-trifluoroethyl)-2-(2,3,5-trimethylphenoxy)propan-1-amine

C14H20F3NO — CID 55092742

IUPACN-(2,2,2-trifluoroethyl)-2-(2,3,5-trimethylphenoxy)propan-1-amine
SMILESCc1cc(C)c(C)c(OC(C)CNCC(F)(F)F)c1
InChIInChI=1S/C14H20F3NO/c1-9-5-10(2)12(4)13(6-9)19-11(3)7-18-8-14(15,16)17/h5-6,11,18H,7-8H2,1-4H3
InChIKeyLQWSFMYZFAMHCU-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.53
Rot. Bonds5

About N-(2,2,2-trifluoroethyl)-2-(2,3,5-trimethylphenoxy)propan-1-amine

N-(2,2,2-trifluoroethyl)-2-(2,3,5-trimethylphenoxy)propan-1-amine (PubChem CID 55092742) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-2-(2,3,5-trimethylphenoxy)propan-1-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-2-(2,3,5-trimethylphenoxy)propan-1-amine
PubChem CID55092742
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC NameN-(2,2,2-trifluoroethyl)-2-(2,3,5-trimethylphenoxy)propan-1-amine
SMILESCc1cc(C)c(C)c(OC(C)CNCC(F)(F)F)c1
InChIInChI=1S/C14H20F3NO/c1-9-5-10(2)12(4)13(6-9)19-11(3)7-18-8-14(15,16)17/h5-6,11,18H,7-8H2,1-4H3
InChIKeyLQWSFMYZFAMHCU-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62571036
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63517705
3-(2,3,5-trimethylphenoxy)butanenitrile
CID 114995149
2-(3-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62572417
2-(4-bromophenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62570732
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55093056
methyl 2-methyl-2-(methylamino)-4-(2,3,5-trimethylphenoxy)pentanoate
CID 64707715
3-methyl-N-propan-2-yl-2-(2,3,5-trimethylphenoxy)butan-1-amine
CID 63496827
2-[(6-methyl-3-pyridinyl)oxy]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62584199
(2R)-N-ethyl-2-(2,3,5-trimethylphenoxy)propanamide
CID 28631725
2-methyl-3-(2,3,5-trimethylphenoxy)butan-2-ol
CID 11775739
2,2,2-trifluoro-N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]ethanamine
CID 115258054

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-2-(2,3,5-trimethylphenoxy)propan-1-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)-2-(2,3,5-trimethylphenoxy)propan-1-amine (CID 55092742) is N-(2,2,2-trifluoroethyl)-2-(2,3,5-trimethylphenoxy)propan-1-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-2-(2,3,5-trimethylphenoxy)propan-1-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-2-(2,3,5-trimethylphenoxy)propan-1-amine is Cc1cc(C)c(C)c(OC(C)CNCC(F)(F)F)c1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-2-(2,3,5-trimethylphenoxy)propan-1-amine?
The InChIKey is LQWSFMYZFAMHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-9-5-10(2)12(4)13(6-9)19-11(3)7-18-8-14(15,16)17/h5-6,11,18H,7-8H2,1-4H3.
What are the key properties of N-(2,2,2-trifluoroethyl)-2-(2,3,5-trimethylphenoxy)propan-1-amine?
N-(2,2,2-trifluoroethyl)-2-(2,3,5-trimethylphenoxy)propan-1-amine has a molecular weight of 275.31 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-2-(2,3,5-trimethylphenoxy)propan-1-amine is sourced from PubChem (CID 55092742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).