N-ethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline

C14H21F3N2 — CID 55009119

IUPACN-ethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline
SMILESCCN(CC(F)(F)F)c1ccccc1CNC(C)C
InChIInChI=1S/C14H21F3N2/c1-4-19(10-14(15,16)17)13-8-6-5-7-12(13)9-18-11(2)3/h5-8,11,18H,4,9-10H2,1-3H3
InChIKeyZZVXZWFGCDEBPJ-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.57
Rot. Bonds6

About N-ethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline

N-ethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 55009119) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is N-ethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound NameN-ethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline
PubChem CID55009119
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC NameN-ethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline
SMILESCCN(CC(F)(F)F)c1ccccc1CNC(C)C
InChIInChI=1S/C14H21F3N2/c1-4-19(10-14(15,16)17)13-8-6-5-7-12(13)9-18-11(2)3/h5-8,11,18H,4,9-10H2,1-3H3
InChIKeyZZVXZWFGCDEBPJ-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of N-ethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline (CID 55009119) is N-ethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for N-ethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for N-ethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline is CCN(CC(F)(F)F)c1ccccc1CNC(C)C.
What is the InChIKey of N-ethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is ZZVXZWFGCDEBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-4-19(10-14(15,16)17)13-8-6-5-7-12(13)9-18-11(2)3/h5-8,11,18H,4,9-10H2,1-3H3.
What are the key properties of N-ethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline?
N-ethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 274.33 g/mol, XLogP of 3.57, 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-ylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 55009119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).