5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine);4-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]morpholine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine;5-chloro-N,N,2-trimethyl-4-(trifluoromethyl)aniline

C98H117Cl8F24N9O7 — CID 158308832

IUPAC5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine);4-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]morpholine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine;5-chloro-N,N,2-trimethyl-4-(trifluoromethyl)aniline
SMILESCNc1cc(Cl)c(C(F)(F)F)cc1C.Cc1cc(C(F)(F)F)c(Cl)cc1N(C)C.Cc1cc(C(F)(F)F)c(Cl)cc1OC1CCNCC1.Cc1cc(C(F)(F)F)c(Cl)cc1OCCN(C)C.Cc1cc(C(F)(F)F)c(Cl)cc1OCCN(C)C.Cc1cc(C(F)(F)F)c(Cl)cc1OCCN1CCCC1.Cc1cc(C(F)(F)F)c(Cl)cc1OCCN1CCNCC1.Cc1cc(C(F)(F)F)c(Cl)cc1OCCN1CCOCC1
InChIInChI=1S/C14H18ClF3N2O.C14H17ClF3NO2.C14H17ClF3NO.C13H15ClF3NO.2C12H15ClF3NO.C10H11ClF3N.C9H9ClF3N/c1-10-8-11(14(16,17)18)12(15)9-13(10)21-7-6-20-4-2-19-3-5-20;1-10-8-11(14(16,17)18)12(15)9-13(10)21-7-4-19-2-5-20-6-3-19;1-10-8-11(14(16,17)18)12(15)9-13(10)20-7-6-19-4-2-3-5-19;1-8-6-10(13(15,16)17)11(14)7-12(8)19-9-2-4-18-5-3-9;2*1-8-6-9(12(14,15)16)10(13)7-11(8)18-5-4-17(2)3;1-6-4-7(10(12,13)14)8(11)5-9(6)15(2)3;1-5-3-6(9(11,12)13)7(10)4-8(5)14-2/h8-9,19H,2-7H2,1H3;8-9H,2-7H2,1H3;8-9H,2-7H2,1H3;6-7,9,18H,2-5H2,1H3;2*6-7H,4-5H2,1-3H3;4-5H,1-3H3;3-4,14H,1-2H3
InChIKeyGNKTYGIEFRLKBE-UHFFFAOYSA-N
MW2272.65 g/mol
LogP28.93
Rot. Bonds24

About 5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine);4-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]morpholine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine;5-chloro-N,N,2-trimethyl-4-(trifluoromethyl)aniline

5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine);4-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]morpholine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine;5-chloro-N,N,2-trimethyl-4-(trifluoromethyl)aniline (PubChem CID 158308832) has the molecular formula C98H117Cl8F24N9O7 and a molecular weight of 2272.65 g/mol. Its IUPAC name is 5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine);4-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]morpholine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine;5-chloro-N,N,2-trimethyl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine);4-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]morpholine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine;5-chloro-N,N,2-trimethyl-4-(trifluoromethyl)aniline
PubChem CID158308832
Molecular FormulaC98H117Cl8F24N9O7
Molecular Weight2272.65 g/mol
Exact Mass2267.62
IUPAC Name5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine);4-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]morpholine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine;5-chloro-N,N,2-trimethyl-4-(trifluoromethyl)aniline
SMILESCNc1cc(Cl)c(C(F)(F)F)cc1C.Cc1cc(C(F)(F)F)c(Cl)cc1N(C)C.Cc1cc(C(F)(F)F)c(Cl)cc1OC1CCNCC1.Cc1cc(C(F)(F)F)c(Cl)cc1OCCN(C)C.Cc1cc(C(F)(F)F)c(Cl)cc1OCCN(C)C.Cc1cc(C(F)(F)F)c(Cl)cc1OCCN1CCCC1.Cc1cc(C(F)(F)F)c(Cl)cc1OCCN1CCNCC1.Cc1cc(C(F)(F)F)c(Cl)cc1OCCN1CCOCC1
InChIInChI=1S/C14H18ClF3N2O.C14H17ClF3NO2.C14H17ClF3NO.C13H15ClF3NO.2C12H15ClF3NO.C10H11ClF3N.C9H9ClF3N/c1-10-8-11(14(16,17)18)12(15)9-13(10)21-7-6-20-4-2-19-3-5-20;1-10-8-11(14(16,17)18)12(15)9-13(10)21-7-4-19-2-5-20-6-3-19;1-10-8-11(14(16,17)18)12(15)9-13(10)20-7-6-19-4-2-3-5-19;1-8-6-10(13(15,16)17)11(14)7-12(8)19-9-2-4-18-5-3-9;2*1-8-6-9(12(14,15)16)10(13)7-11(8)18-5-4-17(2)3;1-6-4-7(10(12,13)14)8(11)5-9(6)15(2)3;1-5-3-6(9(11,12)13)7(10)4-8(5)14-2/h8-9,19H,2-7H2,1H3;8-9H,2-7H2,1H3;8-9H,2-7H2,1H3;6-7,9,18H,2-5H2,1H3;2*6-7H,4-5H2,1-3H3;4-5H,1-3H3;3-4,14H,1-2H3
InChIKeyGNKTYGIEFRLKBE-UHFFFAOYSA-N
XLogP28.93
TPSA120.14 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms146
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002272.65
LogP ≤ 528.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze 5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine);4-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]morpholine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine;5-chloro-N,N,2-trimethyl-4-(trifluoromethyl)aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine);4-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]morpholine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine;5-chloro-N,N,2-trimethyl-4-(trifluoromethyl)aniline?
The IUPAC name of 5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine);4-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]morpholine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine;5-chloro-N,N,2-trimethyl-4-(trifluoromethyl)aniline (CID 158308832) is 5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine);4-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]morpholine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine;5-chloro-N,N,2-trimethyl-4-(trifluoromethyl)aniline.
What is the SMILES notation for 5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine);4-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]morpholine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine;5-chloro-N,N,2-trimethyl-4-(trifluoromethyl)aniline?
The canonical SMILES for 5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine);4-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]morpholine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine;5-chloro-N,N,2-trimethyl-4-(trifluoromethyl)aniline is CNc1cc(Cl)c(C(F)(F)F)cc1C.Cc1cc(C(F)(F)F)c(Cl)cc1N(C)C.Cc1cc(C(F)(F)F)c(Cl)cc1OC1CCNCC1.Cc1cc(C(F)(F)F)c(Cl)cc1OCCN(C)C.Cc1cc(C(F)(F)F)c(Cl)cc1OCCN(C)C.Cc1cc(C(F)(F)F)c(Cl)cc1OCCN1CCCC1.Cc1cc(C(F)(F)F)c(Cl)cc1OCCN1CCNCC1.Cc1cc(C(F)(F)F)c(Cl)cc1OCCN1CCOCC1.
What is the InChIKey of 5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine);4-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]morpholine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine;5-chloro-N,N,2-trimethyl-4-(trifluoromethyl)aniline?
The InChIKey is GNKTYGIEFRLKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N2O.C14H17ClF3NO2.C14H17ClF3NO.C13H15ClF3NO.2C12H15ClF3NO.C10H11ClF3N.C9H9ClF3N/c1-10-8-11(14(16,17)18)12(15)9-13(10)21-7-6-20-4-2-19-3-5-20;1-10-8-11(14(16,17)18)12(15)9-13(10)21-7-4-19-2-5-20-6-3-19;1-10-8-11(14(16,17)18)12(15)9-13(10)20-7-6-19-4-2-3-5-19;1-8-6-10(13(15,16)17)11(14)7-12(8)19-9-2-4-18-5-3-9;2*1-8-6-9(12(14,15)16)10(13)7-11(8)18-5-4-17(2)3;1-6-4-7(10(12,13)14)8(11)5-9(6)15(2)3;1-5-3-6(9(11,12)13)7(10)4-8(5)14-2/h8-9,19H,2-7H2,1H3;8-9H,2-7H2,1H3;8-9H,2-7H2,1H3;6-7,9,18H,2-5H2,1H3;2*6-7H,4-5H2,1-3H3;4-5H,1-3H3;3-4,14H,1-2H3.
What are the key properties of 5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine);4-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]morpholine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine;5-chloro-N,N,2-trimethyl-4-(trifluoromethyl)aniline?
5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine);4-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]morpholine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine;5-chloro-N,N,2-trimethyl-4-(trifluoromethyl)aniline has a molecular weight of 2272.65 g/mol, XLogP of 28.93, 24 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine);4-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]morpholine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine;5-chloro-N,N,2-trimethyl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 158308832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).