N-tert-butyl-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylaniline

C19H21ClF3NO — CID 20626706

IUPACN-tert-butyl-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylaniline
SMILESCc1cc(Oc2ccc(Cl)c(C(F)(F)F)c2)c(C)cc1NC(C)(C)C
InChIInChI=1S/C19H21ClF3NO/c1-11-9-17(12(2)8-16(11)24-18(3,4)5)25-13-6-7-15(20)14(10-13)19(21,22)23/h6-10,24H,1-5H3
InChIKeyYRSBSQGXNZCHOJ-UHFFFAOYSA-N
MW371.83 g/mol
LogP6.98
Rot. Bonds3

About N-tert-butyl-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylaniline

N-tert-butyl-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylaniline (PubChem CID 20626706) has the molecular formula C19H21ClF3NO and a molecular weight of 371.83 g/mol. Its IUPAC name is N-tert-butyl-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylaniline.

Molecular Properties

Compound NameN-tert-butyl-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylaniline
PubChem CID20626706
Molecular FormulaC19H21ClF3NO
Molecular Weight371.83 g/mol
Exact Mass371.13
IUPAC NameN-tert-butyl-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylaniline
SMILESCc1cc(Oc2ccc(Cl)c(C(F)(F)F)c2)c(C)cc1NC(C)(C)C
InChIInChI=1S/C19H21ClF3NO/c1-11-9-17(12(2)8-16(11)24-18(3,4)5)25-13-6-7-15(20)14(10-13)19(21,22)23/h6-10,24H,1-5H3
InChIKeyYRSBSQGXNZCHOJ-UHFFFAOYSA-N
XLogP6.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.83
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 45484223
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CID 310483
(4-chloro-2,5-dimethylphenyl) N-[3-(trifluoromethyl)phenyl]carbamate
CID 311356
N-[4-(4-chlorophenoxy)-3-(trifluoromethyl)phenyl]pentanamide
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4-(4-Chlorophenoxy)-3-(trifluoromethyl)aniline
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N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 9800254
N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-cyanomethanimidamide
CID 9842179
4-[4-Chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylaniline
CID 15544589
4-(4-Chloro-3-(trifluoromethyl)phenoxy)aniline
CID 20362093
4'-(4-Chlorophenoxy)-3'-(trifluoromethyl)-1-methylcyclopropanecarboxanilide
CID 20393476
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CID 20393504

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylaniline?
The IUPAC name of N-tert-butyl-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylaniline (CID 20626706) is N-tert-butyl-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylaniline.
What is the SMILES notation for N-tert-butyl-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylaniline?
The canonical SMILES for N-tert-butyl-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylaniline is Cc1cc(Oc2ccc(Cl)c(C(F)(F)F)c2)c(C)cc1NC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylaniline?
The InChIKey is YRSBSQGXNZCHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF3NO/c1-11-9-17(12(2)8-16(11)24-18(3,4)5)25-13-6-7-15(20)14(10-13)19(21,22)23/h6-10,24H,1-5H3.
What are the key properties of N-tert-butyl-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylaniline?
N-tert-butyl-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylaniline has a molecular weight of 371.83 g/mol, XLogP of 6.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylaniline is sourced from PubChem (CID 20626706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).