4-[2-methoxyethyl(propyl)amino]-2-(trifluoromethyl)benzonitrile

C14H17F3N2O — CID 11437632

IUPAC4-[2-methoxyethyl(propyl)amino]-2-(trifluoromethyl)benzonitrile
SMILESCCCN(CCOC)c1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O/c1-3-6-19(7-8-20-2)12-5-4-11(10-18)13(9-12)14(15,16)17/h4-5,9H,3,6-8H2,1-2H3
InChIKeyMSRZRBFKGFEZOS-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.44
Rot. Bonds6

About 4-[2-methoxyethyl(propyl)amino]-2-(trifluoromethyl)benzonitrile

4-[2-methoxyethyl(propyl)amino]-2-(trifluoromethyl)benzonitrile (PubChem CID 11437632) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 4-[2-methoxyethyl(propyl)amino]-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-[2-methoxyethyl(propyl)amino]-2-(trifluoromethyl)benzonitrile
PubChem CID11437632
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name4-[2-methoxyethyl(propyl)amino]-2-(trifluoromethyl)benzonitrile
SMILESCCCN(CCOC)c1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O/c1-3-6-19(7-8-20-2)12-5-4-11(10-18)13(9-12)14(15,16)17/h4-5,9H,3,6-8H2,1-2H3
InChIKeyMSRZRBFKGFEZOS-UHFFFAOYSA-N
XLogP3.44
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxyethyl(propyl)amino]-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-[2-methoxyethyl(propyl)amino]-2-(trifluoromethyl)benzonitrile (CID 11437632) is 4-[2-methoxyethyl(propyl)amino]-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-[2-methoxyethyl(propyl)amino]-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-[2-methoxyethyl(propyl)amino]-2-(trifluoromethyl)benzonitrile is CCCN(CCOC)c1ccc(C#N)c(C(F)(F)F)c1.
What is the InChIKey of 4-[2-methoxyethyl(propyl)amino]-2-(trifluoromethyl)benzonitrile?
The InChIKey is MSRZRBFKGFEZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-3-6-19(7-8-20-2)12-5-4-11(10-18)13(9-12)14(15,16)17/h4-5,9H,3,6-8H2,1-2H3.
What are the key properties of 4-[2-methoxyethyl(propyl)amino]-2-(trifluoromethyl)benzonitrile?
4-[2-methoxyethyl(propyl)amino]-2-(trifluoromethyl)benzonitrile has a molecular weight of 286.30 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxyethyl(propyl)amino]-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 11437632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).