6-ethoxy-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine

C24H25F3N2O3 — CID 67190754

IUPAC6-ethoxy-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCCOc1nc(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)ccc1C(F)(F)F
InChIInChI=1S/C24H25F3N2O3/c1-4-32-23-21(24(25,26)27)13-14-22(28-23)29(15-17-5-9-19(30-2)10-6-17)16-18-7-11-20(31-3)12-8-18/h5-14H,4,15-16H2,1-3H3
InChIKeyRUNQMGQCKRVJFT-UHFFFAOYSA-N
MW446.47 g/mol
LogP5.72
Rot. Bonds9

About 6-ethoxy-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine

6-ethoxy-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 67190754) has the molecular formula C24H25F3N2O3 and a molecular weight of 446.47 g/mol. Its IUPAC name is 6-ethoxy-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-ethoxy-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID67190754
Molecular FormulaC24H25F3N2O3
Molecular Weight446.47 g/mol
Exact Mass446.18
IUPAC Name6-ethoxy-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCCOc1nc(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)ccc1C(F)(F)F
InChIInChI=1S/C24H25F3N2O3/c1-4-32-23-21(24(25,26)27)13-14-22(28-23)29(15-17-5-9-19(30-2)10-6-17)16-18-7-11-20(31-3)12-8-18/h5-14H,4,15-16H2,1-3H3
InChIKeyRUNQMGQCKRVJFT-UHFFFAOYSA-N
XLogP5.72
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.47
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-ethoxy-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine (CID 67190754) is 6-ethoxy-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-ethoxy-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-ethoxy-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine is CCOc1nc(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)ccc1C(F)(F)F.
What is the InChIKey of 6-ethoxy-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is RUNQMGQCKRVJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O3/c1-4-32-23-21(24(25,26)27)13-14-22(28-23)29(15-17-5-9-19(30-2)10-6-17)16-18-7-11-20(31-3)12-8-18/h5-14H,4,15-16H2,1-3H3.
What are the key properties of 6-ethoxy-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
6-ethoxy-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 446.47 g/mol, XLogP of 5.72, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 67190754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).