N,N-diethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline;2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-amine;2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;1-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;1-[2-methyl-4-(trifluoromethyl)phenyl]piperazine

C87H113F21N8O6 — CID 157073609

IUPACN,N-diethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline;2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-amine;2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;1-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;1-[2-methyl-4-(trifluoromethyl)phenyl]piperazine
SMILESCCN(CC)CCOc1ccc(C(F)(F)F)cc1C.COCCN(C)c1ccc(C(F)(F)F)cc1C.Cc1cc(C(F)(F)F)ccc1N1CCNCC1.Cc1cc(C(F)(F)F)ccc1OCC(C)(C)N.Cc1cc(C(F)(F)F)ccc1OCC1CCCN1.Cc1cc(C(F)(F)F)ccc1OCCN.Cc1cc(C(F)(F)F)ccc1OCCN1CCCC1
InChIInChI=1S/C14H18F3NO.C14H20F3NO.C13H16F3NO.C12H15F3N2.2C12H16F3NO.C10H12F3NO/c1-11-10-12(14(15,16)17)4-5-13(11)19-9-8-18-6-2-3-7-18;1-4-18(5-2)8-9-19-13-7-6-12(10-11(13)3)14(15,16)17;1-9-7-10(13(14,15)16)4-5-12(9)18-8-11-3-2-6-17-11;1-9-8-10(12(13,14)15)2-3-11(9)17-6-4-16-5-7-17;1-8-6-9(12(13,14)15)4-5-10(8)17-7-11(2,3)16;1-9-8-10(12(13,14)15)4-5-11(9)16(2)6-7-17-3;1-7-6-8(10(11,12)13)2-3-9(7)15-5-4-14/h4-5,10H,2-3,6-9H2,1H3;6-7,10H,4-5,8-9H2,1-3H3;4-5,7,11,17H,2-3,6,8H2,1H3;2-3,8,16H,4-7H2,1H3;4-6H,7,16H2,1-3H3;4-5,8H,6-7H2,1-3H3;2-3,6H,4-5,14H2,1H3
InChIKeyACSCTOKMDOLRIO-UHFFFAOYSA-N
MW1765.87 g/mol
LogP21.37
Rot. Bonds24

About N,N-diethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline;2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-amine;2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;1-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;1-[2-methyl-4-(trifluoromethyl)phenyl]piperazine

N,N-diethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline;2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-amine;2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;1-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;1-[2-methyl-4-(trifluoromethyl)phenyl]piperazine (PubChem CID 157073609) has the molecular formula C87H113F21N8O6 and a molecular weight of 1765.87 g/mol. Its IUPAC name is N,N-diethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline;2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-amine;2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;1-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;1-[2-methyl-4-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound NameN,N-diethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline;2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-amine;2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;1-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;1-[2-methyl-4-(trifluoromethyl)phenyl]piperazine
PubChem CID157073609
Molecular FormulaC87H113F21N8O6
Molecular Weight1765.87 g/mol
Exact Mass1764.84
IUPAC NameN,N-diethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline;2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-amine;2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;1-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;1-[2-methyl-4-(trifluoromethyl)phenyl]piperazine
SMILESCCN(CC)CCOc1ccc(C(F)(F)F)cc1C.COCCN(C)c1ccc(C(F)(F)F)cc1C.Cc1cc(C(F)(F)F)ccc1N1CCNCC1.Cc1cc(C(F)(F)F)ccc1OCC(C)(C)N.Cc1cc(C(F)(F)F)ccc1OCC1CCCN1.Cc1cc(C(F)(F)F)ccc1OCCN.Cc1cc(C(F)(F)F)ccc1OCCN1CCCC1
InChIInChI=1S/C14H18F3NO.C14H20F3NO.C13H16F3NO.C12H15F3N2.2C12H16F3NO.C10H12F3NO/c1-11-10-12(14(15,16)17)4-5-13(11)19-9-8-18-6-2-3-7-18;1-4-18(5-2)8-9-19-13-7-6-12(10-11(13)3)14(15,16)17;1-9-7-10(13(14,15)16)4-5-12(9)18-8-11-3-2-6-17-11;1-9-8-10(12(13,14)15)2-3-11(9)17-6-4-16-5-7-17;1-8-6-9(12(13,14)15)4-5-10(8)17-7-11(2,3)16;1-9-8-10(12(13,14)15)4-5-11(9)16(2)6-7-17-3;1-7-6-8(10(11,12)13)2-3-9(7)15-5-4-14/h4-5,10H,2-3,6-9H2,1H3;6-7,10H,4-5,8-9H2,1-3H3;4-5,7,11,17H,2-3,6,8H2,1H3;2-3,8,16H,4-7H2,1H3;4-6H,7,16H2,1-3H3;4-5,8H,6-7H2,1-3H3;2-3,6H,4-5,14H2,1H3
InChIKeyACSCTOKMDOLRIO-UHFFFAOYSA-N
XLogP21.37
TPSA144.44 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms122
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001765.87
LogP ≤ 521.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze N,N-diethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline;2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-amine;2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;1-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;1-[2-methyl-4-(trifluoromethyl)phenyl]piperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline;2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-amine;2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;1-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;1-[2-methyl-4-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of N,N-diethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline;2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-amine;2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;1-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;1-[2-methyl-4-(trifluoromethyl)phenyl]piperazine (CID 157073609) is N,N-diethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline;2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-amine;2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;1-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;1-[2-methyl-4-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for N,N-diethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline;2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-amine;2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;1-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;1-[2-methyl-4-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for N,N-diethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline;2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-amine;2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;1-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;1-[2-methyl-4-(trifluoromethyl)phenyl]piperazine is CCN(CC)CCOc1ccc(C(F)(F)F)cc1C.COCCN(C)c1ccc(C(F)(F)F)cc1C.Cc1cc(C(F)(F)F)ccc1N1CCNCC1.Cc1cc(C(F)(F)F)ccc1OCC(C)(C)N.Cc1cc(C(F)(F)F)ccc1OCC1CCCN1.Cc1cc(C(F)(F)F)ccc1OCCN.Cc1cc(C(F)(F)F)ccc1OCCN1CCCC1.
What is the InChIKey of N,N-diethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline;2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-amine;2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;1-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;1-[2-methyl-4-(trifluoromethyl)phenyl]piperazine?
The InChIKey is ACSCTOKMDOLRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO.C14H20F3NO.C13H16F3NO.C12H15F3N2.2C12H16F3NO.C10H12F3NO/c1-11-10-12(14(15,16)17)4-5-13(11)19-9-8-18-6-2-3-7-18;1-4-18(5-2)8-9-19-13-7-6-12(10-11(13)3)14(15,16)17;1-9-7-10(13(14,15)16)4-5-12(9)18-8-11-3-2-6-17-11;1-9-8-10(12(13,14)15)2-3-11(9)17-6-4-16-5-7-17;1-8-6-9(12(13,14)15)4-5-10(8)17-7-11(2,3)16;1-9-8-10(12(13,14)15)4-5-11(9)16(2)6-7-17-3;1-7-6-8(10(11,12)13)2-3-9(7)15-5-4-14/h4-5,10H,2-3,6-9H2,1H3;6-7,10H,4-5,8-9H2,1-3H3;4-5,7,11,17H,2-3,6,8H2,1H3;2-3,8,16H,4-7H2,1H3;4-6H,7,16H2,1-3H3;4-5,8H,6-7H2,1-3H3;2-3,6H,4-5,14H2,1H3.
What are the key properties of N,N-diethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline;2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-amine;2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;1-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;1-[2-methyl-4-(trifluoromethyl)phenyl]piperazine?
N,N-diethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline;2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-amine;2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;1-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;1-[2-methyl-4-(trifluoromethyl)phenyl]piperazine has a molecular weight of 1765.87 g/mol, XLogP of 21.37, 24 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline;2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-amine;2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;1-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;1-[2-methyl-4-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 157073609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).