4-[1-(methylamino)ethyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline

C14H21F3N2 — CID 55010763

IUPAC4-[1-(methylamino)ethyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline
SMILESCNC(C)c1ccc(N(CC(F)(F)F)C(C)C)cc1
InChIInChI=1S/C14H21F3N2/c1-10(2)19(9-14(15,16)17)13-7-5-12(6-8-13)11(3)18-4/h5-8,10-11,18H,9H2,1-4H3
InChIKeyJGJZEYBDNFHYNK-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.74
Rot. Bonds5

About 4-[1-(methylamino)ethyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline

4-[1-(methylamino)ethyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 55010763) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is 4-[1-(methylamino)ethyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name4-[1-(methylamino)ethyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline
PubChem CID55010763
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name4-[1-(methylamino)ethyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline
SMILESCNC(C)c1ccc(N(CC(F)(F)F)C(C)C)cc1
InChIInChI=1S/C14H21F3N2/c1-10(2)19(9-14(15,16)17)13-7-5-12(6-8-13)11(3)18-4/h5-8,10-11,18H,9H2,1-4H3
InChIKeyJGJZEYBDNFHYNK-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(methylamino)ethyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 4-[1-(methylamino)ethyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline (CID 55010763) is 4-[1-(methylamino)ethyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 4-[1-(methylamino)ethyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 4-[1-(methylamino)ethyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline is CNC(C)c1ccc(N(CC(F)(F)F)C(C)C)cc1.
What is the InChIKey of 4-[1-(methylamino)ethyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is JGJZEYBDNFHYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-10(2)19(9-14(15,16)17)13-7-5-12(6-8-13)11(3)18-4/h5-8,10-11,18H,9H2,1-4H3.
What are the key properties of 4-[1-(methylamino)ethyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline?
4-[1-(methylamino)ethyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 274.33 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(methylamino)ethyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 55010763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).