iodocopper;3-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]pyridin-2-amine

C19H15CuF3IN2O — CID 161188768

IUPACiodocopper;3-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]pyridin-2-amine
SMILESCc1cc(C(F)(F)F)ccc1Oc1ccc(-c2cccnc2N)cc1.[Cu]I
InChIInChI=1S/C19H15F3N2O.Cu.HI/c1-12-11-14(19(20,21)22)6-9-17(12)25-15-7-4-13(5-8-15)16-3-2-10-24-18(16)23;;/h2-11H,1H3,(H2,23,24);;1H/q;+1;/p-1
InChIKeyUTLARHUXSVTMIR-UHFFFAOYSA-M
MW534.79 g/mol
LogP6.33
Rot. Bonds3

About iodocopper;3-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]pyridin-2-amine

iodocopper;3-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]pyridin-2-amine (PubChem CID 161188768) has the molecular formula C19H15CuF3IN2O and a molecular weight of 534.79 g/mol. Its IUPAC name is iodocopper;3-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]pyridin-2-amine.

Molecular Properties

Compound Nameiodocopper;3-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]pyridin-2-amine
PubChem CID161188768
Molecular FormulaC19H15CuF3IN2O
Molecular Weight534.79 g/mol
Exact Mass533.95
IUPAC Nameiodocopper;3-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]pyridin-2-amine
SMILESCc1cc(C(F)(F)F)ccc1Oc1ccc(-c2cccnc2N)cc1.[Cu]I
InChIInChI=1S/C19H15F3N2O.Cu.HI/c1-12-11-14(19(20,21)22)6-9-17(12)25-15-7-4-13(5-8-15)16-3-2-10-24-18(16)23;;/h2-11H,1H3,(H2,23,24);;1H/q;+1;/p-1
InChIKeyUTLARHUXSVTMIR-UHFFFAOYSA-M
XLogP6.33
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.79
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-[4-(4-fluoro-2-methylphenoxy)phenyl]pyridin-2-amine
CID 66747622
2-(4-methylphenoxy)-5-(trifluoromethyl)aniline
CID 4189535
6-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]isoquinolin-1-amine
CID 169108194
8-[2-methyl-4-(trifluoromethyl)phenyl]quinoline
CID 126516375
2-chloro-5-methyl-4-[4-(trifluoromethyl)phenoxy]aniline
CID 115555282
4-[4-[2-[4-(4-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3-methylaniline
CID 57004671
4-[2-bromo-4-(trifluoromethyl)phenoxy]-2-methylaniline
CID 115511819
[4-(2-amino-3-pyridinyl)phenyl] N-[4-chloro-3-(trifluoromethyl)phenyl]-N-methylcarbamate
CID 140525941
4-[4-[4-[2-[4-[4-(4-aminophenoxy)phenoxy]phenyl]-3-pyridinyl]phenoxy]phenoxy]aniline
CID 172739847
2-iodo-1-(4-methoxyphenoxy)-4-(trifluoromethyl)benzene
CID 134929204
2-[2-methyl-4-(4-methylphenyl)phenoxy]-5-(trifluoromethyl)pyridine
CID 2435081
5-methyl-4-[3-(trifluoromethyl)phenoxy]pyridin-2-amine
CID 155344405

Frequently Asked Questions

What is the IUPAC name of iodocopper;3-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]pyridin-2-amine?
The IUPAC name of iodocopper;3-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]pyridin-2-amine (CID 161188768) is iodocopper;3-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]pyridin-2-amine.
What is the SMILES notation for iodocopper;3-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]pyridin-2-amine?
The canonical SMILES for iodocopper;3-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]pyridin-2-amine is Cc1cc(C(F)(F)F)ccc1Oc1ccc(-c2cccnc2N)cc1.[Cu]I.
What is the InChIKey of iodocopper;3-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]pyridin-2-amine?
The InChIKey is UTLARHUXSVTMIR-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H15F3N2O.Cu.HI/c1-12-11-14(19(20,21)22)6-9-17(12)25-15-7-4-13(5-8-15)16-3-2-10-24-18(16)23;;/h2-11H,1H3,(H2,23,24);;1H/q;+1;/p-1.
What are the key properties of iodocopper;3-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]pyridin-2-amine?
iodocopper;3-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]pyridin-2-amine has a molecular weight of 534.79 g/mol, XLogP of 6.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iodocopper;3-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]pyridin-2-amine is sourced from PubChem (CID 161188768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).