N-ethyl-1-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine

C14H20F3NO — CID 66277173

IUPACN-ethyl-1-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
SMILESCCNC(COC(C)C(F)(F)F)c1ccc(C)cc1
InChIInChI=1S/C14H20F3NO/c1-4-18-13(9-19-11(3)14(15,16)17)12-7-5-10(2)6-8-12/h5-8,11,13,18H,4,9H2,1-3H3
InChIKeyNGDSDILLGOCZDX-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.61
Rot. Bonds6

About N-ethyl-1-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine

N-ethyl-1-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine (PubChem CID 66277173) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is N-ethyl-1-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
PubChem CID66277173
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC NameN-ethyl-1-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
SMILESCCNC(COC(C)C(F)(F)F)c1ccc(C)cc1
InChIInChI=1S/C14H20F3NO/c1-4-18-13(9-19-11(3)14(15,16)17)12-7-5-10(2)6-8-12/h5-8,11,13,18H,4,9H2,1-3H3
InChIKeyNGDSDILLGOCZDX-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-propylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66277594
1-(1,3-benzodioxol-5-yl)-N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66274557
2-(3,3-dimethylbutoxy)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 66233587
N-ethyl-1-(4-methylphenyl)-3-propan-2-yloxypropan-1-amine
CID 115002189
N-ethyl-1-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105087874
N-ethyl-1-(6-methyl-3-pyridinyl)-2-propan-2-yloxyethanamine
CID 105146359
N-ethyl-2-methyl-1-(4-methylphenyl)butan-1-amine
CID 43489330
N-ethyl-2-(3-fluoro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine
CID 107168988
1-(3,4-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 79574237
N-ethyl-3,5,5-trimethyl-1-(4-methylphenyl)hexan-1-amine
CID 43489288
N-methyl-2-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275302
3-(ethylamino)-3-(4-methylphenyl)propan-1-ol
CID 64813855

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The IUPAC name of N-ethyl-1-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine (CID 66277173) is N-ethyl-1-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine.
What is the SMILES notation for N-ethyl-1-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The canonical SMILES for N-ethyl-1-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine is CCNC(COC(C)C(F)(F)F)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-1-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The InChIKey is NGDSDILLGOCZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-4-18-13(9-19-11(3)14(15,16)17)12-7-5-10(2)6-8-12/h5-8,11,13,18H,4,9H2,1-3H3.
What are the key properties of N-ethyl-1-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
N-ethyl-1-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine has a molecular weight of 275.31 g/mol, XLogP of 3.61, 6 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)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine is sourced from PubChem (CID 66277173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).