N-ethyl-1-(4-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine

C14H20F3NO — CID 103214563

IUPACN-ethyl-1-(4-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCCNC(COCC(F)(F)F)Cc1ccc(C)cc1
InChIInChI=1S/C14H20F3NO/c1-3-18-13(9-19-10-14(15,16)17)8-12-6-4-11(2)5-7-12/h4-7,13,18H,3,8-10H2,1-2H3
InChIKeyUXGAJYPIDVVPDT-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.09
Rot. Bonds7

About N-ethyl-1-(4-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine

N-ethyl-1-(4-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine (PubChem CID 103214563) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is N-ethyl-1-(4-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
PubChem CID103214563
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC NameN-ethyl-1-(4-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCCNC(COCC(F)(F)F)Cc1ccc(C)cc1
InChIInChI=1S/C14H20F3NO/c1-3-18-13(9-19-10-14(15,16)17)8-12-6-4-11(2)5-7-12/h4-7,13,18H,3,8-10H2,1-2H3
InChIKeyUXGAJYPIDVVPDT-UHFFFAOYSA-N
XLogP3.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214527
1-(2,6-dichlorophenyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214862
N-methyl-2-[(4-methylphenyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 106705903
1-(2-chlorophenyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214639
[1-(4-tert-butylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
CID 103217379
1-(3,4-dimethylphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214766
1-(3-chloro-4-fluorophenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103216598
N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215787
N-ethyl-5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 79954040
[1-phenyl-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
CID 103217246
1-(3-bromophenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214582
ethyl 3-(ethylamino)-4-(4-methylphenyl)butanoate
CID 82351703

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The IUPAC name of N-ethyl-1-(4-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine (CID 103214563) is N-ethyl-1-(4-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine.
What is the SMILES notation for N-ethyl-1-(4-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The canonical SMILES for N-ethyl-1-(4-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine is CCNC(COCC(F)(F)F)Cc1ccc(C)cc1.
What is the InChIKey of N-ethyl-1-(4-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The InChIKey is UXGAJYPIDVVPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-3-18-13(9-19-10-14(15,16)17)8-12-6-4-11(2)5-7-12/h4-7,13,18H,3,8-10H2,1-2H3.
What are the key properties of N-ethyl-1-(4-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
N-ethyl-1-(4-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine has a molecular weight of 275.31 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine is sourced from PubChem (CID 103214563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).