N-ethyl-2-propan-2-yloxy-1-(2,4,6-trifluorophenyl)ethanamine

C13H18F3NO — CID 105013108

IUPACN-ethyl-2-propan-2-yloxy-1-(2,4,6-trifluorophenyl)ethanamine
SMILESCCNC(COC(C)C)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H18F3NO/c1-4-17-12(7-18-8(2)3)13-10(15)5-9(14)6-11(13)16/h5-6,8,12,17H,4,7H2,1-3H3
InChIKeyAUMJGQHEFPMRRF-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.18
Rot. Bonds6

About N-ethyl-2-propan-2-yloxy-1-(2,4,6-trifluorophenyl)ethanamine

N-ethyl-2-propan-2-yloxy-1-(2,4,6-trifluorophenyl)ethanamine (PubChem CID 105013108) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is N-ethyl-2-propan-2-yloxy-1-(2,4,6-trifluorophenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-propan-2-yloxy-1-(2,4,6-trifluorophenyl)ethanamine
PubChem CID105013108
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC NameN-ethyl-2-propan-2-yloxy-1-(2,4,6-trifluorophenyl)ethanamine
SMILESCCNC(COC(C)C)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H18F3NO/c1-4-17-12(7-18-8(2)3)13-10(15)5-9(14)6-11(13)16/h5-6,8,12,17H,4,7H2,1-3H3
InChIKeyAUMJGQHEFPMRRF-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2,6-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 105013295
[2-propan-2-yloxy-1-(2,4,6-trifluorophenyl)ethyl]hydrazine
CID 105323768
1-(2,5-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 79575096
1-(3,4-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 79574237
N-ethyl-1-(3-fluorophenyl)-2-propan-2-yloxyethanamine
CID 79573891
3-(2,2-difluoroethoxy)-N-ethyl-1-(2,4,6-trifluorophenyl)propan-1-amine
CID 103207306
1-(3-chloro-4-fluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 79575549
1-(2,3-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 105013124
N-ethyl-2-(4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 43490356
N-ethyl-1-(2,4,6-trifluorophenyl)hex-5-en-1-amine
CID 104986781
2-[1-(ethylamino)ethyl]-3,5-difluorophenol
CID 104581572
2-(3-chlorophenyl)-N-ethyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 63508626

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-propan-2-yloxy-1-(2,4,6-trifluorophenyl)ethanamine?
The IUPAC name of N-ethyl-2-propan-2-yloxy-1-(2,4,6-trifluorophenyl)ethanamine (CID 105013108) is N-ethyl-2-propan-2-yloxy-1-(2,4,6-trifluorophenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-propan-2-yloxy-1-(2,4,6-trifluorophenyl)ethanamine?
The canonical SMILES for N-ethyl-2-propan-2-yloxy-1-(2,4,6-trifluorophenyl)ethanamine is CCNC(COC(C)C)c1c(F)cc(F)cc1F.
What is the InChIKey of N-ethyl-2-propan-2-yloxy-1-(2,4,6-trifluorophenyl)ethanamine?
The InChIKey is AUMJGQHEFPMRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-4-17-12(7-18-8(2)3)13-10(15)5-9(14)6-11(13)16/h5-6,8,12,17H,4,7H2,1-3H3.
What are the key properties of N-ethyl-2-propan-2-yloxy-1-(2,4,6-trifluorophenyl)ethanamine?
N-ethyl-2-propan-2-yloxy-1-(2,4,6-trifluorophenyl)ethanamine has a molecular weight of 261.29 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-propan-2-yloxy-1-(2,4,6-trifluorophenyl)ethanamine is sourced from PubChem (CID 105013108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).