1-(2,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine

C13H18F3N — CID 43490017

IUPAC1-(2,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
SMILESCCNC(CC(F)(F)F)c1ccc(C)cc1C
InChIInChI=1S/C13H18F3N/c1-4-17-12(8-13(14,15)16)11-6-5-9(2)7-10(11)3/h5-7,12,17H,4,8H2,1-3H3
InChIKeyRIUOKDKWWMMDMI-UHFFFAOYSA-N
MW245.29 g/mol
LogP3.91
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine

1-(2,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine (PubChem CID 43490017) has the molecular formula C13H18F3N and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
PubChem CID43490017
Molecular FormulaC13H18F3N
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Name1-(2,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
SMILESCCNC(CC(F)(F)F)c1ccc(C)cc1C
InChIInChI=1S/C13H18F3N/c1-4-17-12(8-13(14,15)16)11-6-5-9(2)7-10(11)3/h5-7,12,17H,4,8H2,1-3H3
InChIKeyRIUOKDKWWMMDMI-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dimethylphenyl)-N,3-diethylpentan-1-amine
CID 105028376
1-(2,4-dimethylphenyl)-N-ethyl-2-ethylsulfonylethanamine
CID 64647574
1-(2,4-dimethylphenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine
CID 115803668
(1R)-1-(2,4-dimethylphenyl)-3,3,3-trifluoropropan-1-amine
CID 28500791
1-(3,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 43488017
1-(2,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 43489975
1-(2,4-dimethylphenyl)-N-ethyl-2-(4-methylphenoxy)ethanamine
CID 63474182
1-(2,4-dimethylphenyl)-N-ethyl-2-propylsulfanylethanamine
CID 64614075
1-[2-(2,4-dimethylphenyl)-2-(ethylamino)ethyl]-4-methylpyridin-2-one
CID 62962661
1-(2,4-dimethylphenyl)-N-ethyl-4-methoxypentan-1-amine
CID 105145249
N-[1-(2,4-dimethylphenyl)ethyl]-2,2,2-trifluoroethanamine
CID 43185231
N'-butan-2-yl-1-(2,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine
CID 63469719

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine (CID 43490017) is 1-(2,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine is CCNC(CC(F)(F)F)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine?
The InChIKey is RIUOKDKWWMMDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N/c1-4-17-12(8-13(14,15)16)11-6-5-9(2)7-10(11)3/h5-7,12,17H,4,8H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine?
1-(2,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine has a molecular weight of 245.29 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 43490017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).