N-(2,2-dimethylpropyl)-4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)aniline

C17H25F3N2O2 — CID 172536023

IUPACN-(2,2-dimethylpropyl)-4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)aniline
SMILESCC(C)(C)CNc1ccc(N2CCOCC2)cc1OCC(F)(F)F
InChIInChI=1S/C17H25F3N2O2/c1-16(2,3)11-21-14-5-4-13(22-6-8-23-9-7-22)10-15(14)24-12-17(18,19)20/h4-5,10,21H,6-9,11-12H2,1-3H3
InChIKeyVIYZYNKGOPBATL-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.92
Rot. Bonds5

About N-(2,2-dimethylpropyl)-4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)aniline

N-(2,2-dimethylpropyl)-4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)aniline (PubChem CID 172536023) has the molecular formula C17H25F3N2O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)aniline.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)aniline
PubChem CID172536023
Molecular FormulaC17H25F3N2O2
Molecular Weight346.39 g/mol
Exact Mass346.19
IUPAC NameN-(2,2-dimethylpropyl)-4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)aniline
SMILESCC(C)(C)CNc1ccc(N2CCOCC2)cc1OCC(F)(F)F
InChIInChI=1S/C17H25F3N2O2/c1-16(2,3)11-21-14-5-4-13(22-6-8-23-9-7-22)10-15(14)24-12-17(18,19)20/h4-5,10,21H,6-9,11-12H2,1-3H3
InChIKeyVIYZYNKGOPBATL-UHFFFAOYSA-N
XLogP3.92
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethylpropyl)-4-morpholin-4-ylaniline
CID 20785895
N-(2,2-dimethylpropyl)-4-methylsulfonyl-2-(2,2,2-trifluoroethoxy)aniline
CID 172535789
N-(2,2-dimethylpropyl)-5-morpholin-4-yl-2-nitroaniline
CID 2959576
4-(3,4-diethoxyphenyl)morpholine
CID 154477521
2-N-[2-(2-fluoroethoxy)-4-morpholin-4-ylphenyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 141339238
N-(2,2-dimethylpropyl)-4-morpholin-4-ylbenzamide
CID 110474046
4-[2-(2-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)benzamide
CID 170790854
1-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]piperazine;ethane
CID 143061676
4-[4-(1,1-dimethoxyethyl)-3-methoxyphenyl]morpholine
CID 174708451
N-(2,2-dimethylpropyl)-2-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-8-amine
CID 146864840
4-morpholin-4-yl-N-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyridine-2-carboxamide
CID 138043224
N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide
CID 66957852

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)aniline?
The IUPAC name of N-(2,2-dimethylpropyl)-4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)aniline (CID 172536023) is N-(2,2-dimethylpropyl)-4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)aniline.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)aniline?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)aniline is CC(C)(C)CNc1ccc(N2CCOCC2)cc1OCC(F)(F)F.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)aniline?
The InChIKey is VIYZYNKGOPBATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O2/c1-16(2,3)11-21-14-5-4-13(22-6-8-23-9-7-22)10-15(14)24-12-17(18,19)20/h4-5,10,21H,6-9,11-12H2,1-3H3.
What are the key properties of N-(2,2-dimethylpropyl)-4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)aniline?
N-(2,2-dimethylpropyl)-4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)aniline has a molecular weight of 346.39 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)aniline is sourced from PubChem (CID 172536023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).