N,N-bis(2-methoxyethyl)-4-(trifluoromethyl)aniline

C13H18F3NO2 — CID 135008379

IUPACN,N-bis(2-methoxyethyl)-4-(trifluoromethyl)aniline
SMILESCOCCN(CCOC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO2/c1-18-9-7-17(8-10-19-2)12-5-3-11(4-6-12)13(14,15)16/h3-6H,7-10H2,1-2H3
InChIKeyQGPUKQLCPNHETR-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.80
Rot. Bonds7

About N,N-bis(2-methoxyethyl)-4-(trifluoromethyl)aniline

N,N-bis(2-methoxyethyl)-4-(trifluoromethyl)aniline (PubChem CID 135008379) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-4-(trifluoromethyl)aniline
PubChem CID135008379
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC NameN,N-bis(2-methoxyethyl)-4-(trifluoromethyl)aniline
SMILESCOCCN(CCOC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO2/c1-18-9-7-17(8-10-19-2)12-5-3-11(4-6-12)13(14,15)16/h3-6H,7-10H2,1-2H3
InChIKeyQGPUKQLCPNHETR-UHFFFAOYSA-N
XLogP2.80
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-4-(trifluoromethyl)aniline?
The IUPAC name of N,N-bis(2-methoxyethyl)-4-(trifluoromethyl)aniline (CID 135008379) is N,N-bis(2-methoxyethyl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-4-(trifluoromethyl)aniline?
The canonical SMILES for N,N-bis(2-methoxyethyl)-4-(trifluoromethyl)aniline is COCCN(CCOC)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N,N-bis(2-methoxyethyl)-4-(trifluoromethyl)aniline?
The InChIKey is QGPUKQLCPNHETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2/c1-18-9-7-17(8-10-19-2)12-5-3-11(4-6-12)13(14,15)16/h3-6H,7-10H2,1-2H3.
What are the key properties of N,N-bis(2-methoxyethyl)-4-(trifluoromethyl)aniline?
N,N-bis(2-methoxyethyl)-4-(trifluoromethyl)aniline has a molecular weight of 277.29 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 135008379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).